1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide

C19H22FN3O2 — CID 109053436

IUPAC1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O2/c1-23(2)12-4-11-21-18(24)14-5-3-6-15(13-14)19(25)22-17-9-7-16(20)8-10-17/h3,5-10,13H,4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRIESLRGWZYBUFI-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.76
Rot. Bonds7

About 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide

1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109053436) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109053436
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O2/c1-23(2)12-4-11-21-18(24)14-5-3-6-15(13-14)19(25)22-17-9-7-16(20)8-10-17/h3,5-10,13H,4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRIESLRGWZYBUFI-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461
1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
methyl 4-[[4-[3-(dimethylamino)propylcarbamoyl]benzoyl]amino]benzoate
CID 109046051
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide (CID 109053436) is 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is RIESLRGWZYBUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-23(2)12-4-11-21-18(24)14-5-3-6-15(13-14)19(25)22-17-9-7-16(20)8-10-17/h3,5-10,13H,4,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).