3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide

C19H21ClN2O2 — CID 109033251

IUPAC3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESCC(=O)c1cccc(NCCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)16-5-3-7-18(13-16)21-11-9-19(24)22-10-8-15-4-2-6-17(20)12-15/h2-7,12-13,21H,8-11H2,1H3,(H,22,24)
InChIKeyCHOGPBGMAJTWPU-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.70
Rot. Bonds8

About 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide

3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide (PubChem CID 109033251) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
PubChem CID109033251
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESCC(=O)c1cccc(NCCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)16-5-3-7-18(13-16)21-11-9-19(24)22-10-8-15-4-2-6-17(20)12-15/h2-7,12-13,21H,8-11H2,1H3,(H,22,24)
InChIKeyCHOGPBGMAJTWPU-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109033256
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
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3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
CID 109030863
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
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N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
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N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide (CID 109033251) is 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide is CC(=O)c1cccc(NCCC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is CHOGPBGMAJTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(23)16-5-3-7-18(13-16)21-11-9-19(24)22-10-8-15-4-2-6-17(20)12-15/h2-7,12-13,21H,8-11H2,1H3,(H,22,24).
What are the key properties of 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide?
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 344.84 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 109033251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).