3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide

C20H21ClN2O3 — CID 113128077

IUPAC3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13-4-9-18(12-19(13)21)23(15(3)25)11-10-20(26)22-17-7-5-16(6-8-17)14(2)24/h4-9,12H,10-11H2,1-3H3,(H,22,26)
InChIKeyQDHBVDKNDJRSRR-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.23
Rot. Bonds6

About 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide

3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide (PubChem CID 113128077) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
PubChem CID113128077
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13-4-9-18(12-19(13)21)23(15(3)25)11-10-20(26)22-17-7-5-16(6-8-17)14(2)24/h4-9,12H,10-11H2,1-3H3,(H,22,26)
InChIKeyQDHBVDKNDJRSRR-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
methyl 3-[acetyl-[3-(3-chloro-4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131424
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
CID 113128049
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113128043
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide (CID 113128077) is 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide is CC(=O)c1ccc(NC(=O)CCN(C(C)=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide?
The InChIKey is QDHBVDKNDJRSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-4-9-18(12-19(13)21)23(15(3)25)11-10-20(26)22-17-7-5-16(6-8-17)14(2)24/h4-9,12H,10-11H2,1-3H3,(H,22,26).
What are the key properties of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide?
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide has a molecular weight of 372.85 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide is sourced from PubChem (CID 113128077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).