3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide

C21H24ClN3O3 — CID 55799139

IUPAC3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H24ClN3O3/c1-4-20(27)24-16-9-10-17(22)19(11-16)25-21(28)12-18(23-14(3)26)15-7-5-13(2)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyCIHQSFWMBSZQIL-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.20
Rot. Bonds7

About 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 55799139) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID55799139
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H24ClN3O3/c1-4-20(27)24-16-9-10-17(22)19(11-16)25-21(28)12-18(23-14(3)26)15-7-5-13(2)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyCIHQSFWMBSZQIL-UHFFFAOYSA-N
XLogP4.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
methyl 5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-chlorobenzoate
CID 55556906
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)propanamide
CID 55379596
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide (CID 55799139) is 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is CIHQSFWMBSZQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-4-20(27)24-16-9-10-17(22)19(11-16)25-21(28)12-18(23-14(3)26)15-7-5-13(2)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 401.89 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 55799139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).