N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide

C17H16ClNO2 — CID 123643461

IUPACN-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
SMILESCC(=O)c1ccc(C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-11(13-7-9-14(10-8-13)12(2)20)19-17(21)15-5-3-4-6-16(15)18/h3-11H,1-2H3,(H,19,21)
InChIKeyQKLNTLPFAREANQ-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide

N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide (PubChem CID 123643461) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
PubChem CID123643461
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
SMILESCC(=O)c1ccc(C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-11(13-7-9-14(10-8-13)12(2)20)19-17(21)15-5-3-4-6-16(15)18/h3-11H,1-2H3,(H,19,21)
InChIKeyQKLNTLPFAREANQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide (CID 123643461) is N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide is CC(=O)c1ccc(C(C)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide?
The InChIKey is QKLNTLPFAREANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11(13-7-9-14(10-8-13)12(2)20)19-17(21)15-5-3-4-6-16(15)18/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide?
N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide has a molecular weight of 301.77 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 123643461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).