3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide

C18H16ClN3O2 — CID 108922560

IUPAC3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-4-1-13(2-5-14)3-10-17(23)21-15-6-8-16(9-7-15)22-18(24)11-12-20/h1-2,4-9H,3,10-11H2,(H,21,23)(H,22,24)
InChIKeyNQRZOHLUOPTHML-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.76
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide

3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide (PubChem CID 108922560) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
PubChem CID108922560
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-4-1-13(2-5-14)3-10-17(23)21-15-6-8-16(9-7-15)22-18(24)11-12-20/h1-2,4-9H,3,10-11H2,(H,21,23)(H,22,24)
InChIKeyNQRZOHLUOPTHML-UHFFFAOYSA-N
XLogP3.76
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
CID 68816989
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
CID 54780838

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide (CID 108922560) is 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide is N#CCC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide?
The InChIKey is NQRZOHLUOPTHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-4-1-13(2-5-14)3-10-17(23)21-15-6-8-16(9-7-15)22-18(24)11-12-20/h1-2,4-9H,3,10-11H2,(H,21,23)(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide?
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 108922560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).