N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide

C18H19ClN2O2 — CID 4877576

IUPACN-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(20-11-14-3-7-16(19)8-4-14)18(23)21-17-9-5-15(6-10-17)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)
InChIKeyIVQCIVKWIZZKSC-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.66
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide

N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide (PubChem CID 4877576) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide
PubChem CID4877576
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(20-11-14-3-7-16(19)8-4-14)18(23)21-17-9-5-15(6-10-17)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)
InChIKeyIVQCIVKWIZZKSC-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide (CID 4877576) is N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide is CC(=O)c1ccc(NC(=O)C(C)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide?
The InChIKey is IVQCIVKWIZZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(20-11-14-3-7-16(19)8-4-14)18(23)21-17-9-5-15(6-10-17)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide?
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide has a molecular weight of 330.82 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide is sourced from PubChem (CID 4877576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).