3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide

C19H20ClN3O3 — CID 46585410

IUPAC3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClN3O3/c1-12(24)22-17(13-6-8-15(20)9-7-13)11-18(25)23-16-5-3-4-14(10-16)19(26)21-2/h3-10,17H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOPJUQOXIBIUCNF-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.91
Rot. Bonds6

About 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide

3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide (PubChem CID 46585410) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
PubChem CID46585410
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClN3O3/c1-12(24)22-17(13-6-8-15(20)9-7-13)11-18(25)23-16-5-3-4-14(10-16)19(26)21-2/h3-10,17H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOPJUQOXIBIUCNF-UHFFFAOYSA-N
XLogP2.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
CID 55706071
3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
CID 51195259
3-acetamido-3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 55876842
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215

Frequently Asked Questions

What is the IUPAC name of 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide (CID 46585410) is 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide?
The InChIKey is OPJUQOXIBIUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12(24)22-17(13-6-8-15(20)9-7-13)11-18(25)23-16-5-3-4-14(10-16)19(26)21-2/h3-10,17H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide?
3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide has a molecular weight of 373.84 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 46585410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).