2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide

C19H20Cl2N2O2 — CID 132656904

IUPAC2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(19(25)22-2)23(12-14-6-4-3-5-7-14)18(24)11-15-8-9-16(20)17(21)10-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyDDOSPCIROOGIKK-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.70
Rot. Bonds6

About 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide

2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide (PubChem CID 132656904) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
PubChem CID132656904
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(19(25)22-2)23(12-14-6-4-3-5-7-14)18(24)11-15-8-9-16(20)17(21)10-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyDDOSPCIROOGIKK-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
2-[benzyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 132667719
2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methylpropanamide
CID 132663475
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methylpropanamide
CID 100568029
2-[3-benzylsulfanylpropanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132671839
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676603
2-[(4-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262328
N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132986279
2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132712757
2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666522
2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257938

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide (CID 132656904) is 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is DDOSPCIROOGIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(19(25)22-2)23(12-14-6-4-3-5-7-14)18(24)11-15-8-9-16(20)17(21)10-15/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide?
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 379.29 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132656904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).