N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide

C101H107F3N28O15 — CID 160941923

About N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide

N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 160941923) has the molecular formula C101H107F3N28O15 and a molecular weight of 2010.14 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

• Compound Name: N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide
• PubChem CID: 160941923
• Molecular Formula: C101H107F3N28O15
• Molecular Weight: 2010.14 g/mol
• Exact Mass: 2008.84
• IUPAC Name: N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide
• SMILES: CN(C)CCN(C=O)Cc1ccccc1.CN(C=O)c1ccccc1.COc1ccccc1NC=O.Cc1cnc(CNC=O)cn1.N#Cc1ccc(NC=O)cc1.N#Cc1cccc(NC=O)c1.O=CNCc1cccc(C(F)(F)F)c1.O=CNCc1ccccc1.O=CNc1ccccn1.O=CNc1cccnc1.O=CNc1cccnn1.O=CNc1ccncc1.O=CNc1ccnnc1.O=CNc1cncnc1
• InChI: InChI=1S/C12H18N2O.C9H8F3NO.2C8H6N2O.C8H9NO2.2C8H9NO.C7H9N3O.3C6H6N2O.3C5H5N3O/c1-13(2)8-9-14(11-15)10-12-6-4-3-5-7-12;10-9(11,12)8-3-1-2-7(4-8)5-13-6-14;9-5-7-1-3-8(4-2-7)10-6-11;9-5-7-2-1-3-8(4-7)10-6-11;1-11-8-5-3-2-4-7(8)9-6-10;1-9(7-10)8-5-3-2-4-6-8;10-7-9-6-8-4-2-1-3-5-8;1-6-2-10-7(4-9-6)3-8-5-11;9-5-8-6-1-3-7-4-2-6;9-5-8-6-2-1-3-7-4-6;9-5-8-6-3-1-2-4-7-6;9-4-8-5-1-6-3-7-2-5;9-4-6-5-1-2-7-8-3-5;9-4-6-5-2-1-3-7-8-5/h3-7,11H,8-10H2,1-2H3;1-4,6H,5H2,(H,13,14);2*1-4,6H,(H,10,11);2-6H,1H3,(H,9,10);2-7H,1H3;1-5,7H,6H2,(H,9,10);2,4-5H,3H2,1H3,(H,8,11);1-5H,(H,7,8,9);1-5H,(H,8,9);1-5H,(H,7,8,9);1-4H,(H,8,9);1-4H,(H,6,7,9);1-4H,(H,6,8,9)
• InChIKey: SUPRPLMYKMXQLH-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 591.66 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2010.14
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide?

The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide (CID 160941923) is N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide.

What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide?

The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide is CN(C)CCN(C=O)Cc1ccccc1.CN(C=O)c1ccccc1.COc1ccccc1NC=O.Cc1cnc(CNC=O)cn1.N#Cc1ccc(NC=O)cc1.N#Cc1cccc(NC=O)c1.O=CNCc1cccc(C(F)(F)F)c1.O=CNCc1ccccc1.O=CNc1ccccn1.O=CNc1cccnc1.O=CNc1cccnn1.O=CNc1ccncc1.O=CNc1ccnnc1.O=CNc1cncnc1.

What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide?

The InChIKey is SUPRPLMYKMXQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C9H8F3NO.2C8H6N2O.C8H9NO2.2C8H9NO.C7H9N3O.3C6H6N2O.3C5H5N3O/c1-13(2)8-9-14(11-15)10-12-6-4-3-5-7-12;10-9(11,12)8-3-1-2-7(4-8)5-13-6-14;9-5-7-1-3-8(4-2-7)10-6-11;9-5-7-2-1-3-8(4-7)10-6-11;1-11-8-5-3-2-4-7(8)9-6-10;1-9(7-10)8-5-3-2-4-6-8;10-7-9-6-8-4-2-1-3-5-8;1-6-2-10-7(4-9-6)3-8-5-11;9-5-8-6-1-3-7-4-2-6;9-5-8-6-2-1-3-7-4-6;9-5-8-6-3-1-2-4-7-6;9-4-8-5-1-6-3-7-2-5;9-4-6-5-1-2-7-8-3-5;9-4-6-5-2-1-3-7-8-5/h3-7,11H,8-10H2,1-2H3;1-4,6H,5H2,(H,13,14);2*1-4,6H,(H,10,11);2-6H,1H3,(H,9,10);2-7H,1H3;1-5,7H,6H2,(H,9,10);2,4-5H,3H2,1H3,(H,8,11);1-5H,(H,7,8,9);1-5H,(H,8,9);1-5H,(H,7,8,9);1-4H,(H,8,9);1-4H,(H,6,7,9);1-4H,(H,6,8,9).

What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide?

N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 2010.14 g/mol, XLogP of 11.00, 36 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[2-(dimethylamino)ethyl]formamide;N-benzylformamide;N-(3-cyanophenyl)formamide;N-(4-cyanophenyl)formamide;N-(2-methoxyphenyl)formamide;N-methyl-N-phenylformamide;N-[(5-methylpyrazin-2-yl)methyl]formamide;N-pyridazin-3-ylformamide;N-pyridazin-4-ylformamide;N-pyridin-2-ylformamide;N-pyridin-3-ylformamide;N-pyridin-4-ylformamide;N-pyrimidin-5-ylformamide;N-[[3-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 160941923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).