3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide

C18H19ClN2O2 — CID 51194875

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-3-9-16(10-4-12)21-18(23)11-17(20-13(2)22)14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBQWUMFXQXYEQOT-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.85
Rot. Bonds5

About 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide (PubChem CID 51194875) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
PubChem CID51194875
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-3-9-16(10-4-12)21-18(23)11-17(20-13(2)22)14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBQWUMFXQXYEQOT-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55377378
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide (CID 51194875) is 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is BQWUMFXQXYEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-3-9-16(10-4-12)21-18(23)11-17(20-13(2)22)14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 330.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 51194875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).