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

C20H22ClN3O3 — CID 55706071

IUPAC4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H22ClN3O3/c1-12-10-15(20(27)22-3)6-9-17(12)24-19(26)11-18(23-13(2)25)14-4-7-16(21)8-5-14/h4-10,18H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyYRVDVFZKQWUOOU-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.21
Rot. Bonds6

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

4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide (PubChem CID 55706071) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
PubChem CID55706071
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H22ClN3O3/c1-12-10-15(20(27)22-3)6-9-17(12)24-19(26)11-18(23-13(2)25)14-4-7-16(21)8-5-14/h4-10,18H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyYRVDVFZKQWUOOU-UHFFFAOYSA-N
XLogP3.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
CID 46585410
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
methyl 4-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methylbenzoate
CID 55531525
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
CID 42920159
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212

Frequently Asked Questions

What is the IUPAC name of 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide (CID 55706071) is 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide?
The InChIKey is YRVDVFZKQWUOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-12-10-15(20(27)22-3)6-9-17(12)24-19(26)11-18(23-13(2)25)14-4-7-16(21)8-5-14/h4-10,18H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide?
4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 55706071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).