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

C18H16ClN3O2 — CID 51195259

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12(23)21-17(14-5-7-15(19)8-6-14)10-18(24)22-16-4-2-3-13(9-16)11-20/h2-9,17H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKCXKEKSZRFTCQD-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.42
Rot. Bonds5

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

3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide (PubChem CID 51195259) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
PubChem CID51195259
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12(23)21-17(14-5-7-15(19)8-6-14)10-18(24)22-16-4-2-3-13(9-16)11-20/h2-9,17H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKCXKEKSZRFTCQD-UHFFFAOYSA-N
XLogP3.42
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
CID 46585410
3-acetamido-3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 55876842
[2-(3-cyanoanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133370
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 49169432
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
CID 55379526
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide (CID 51195259) is 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide is CC(=O)NC(CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide?
The InChIKey is KCXKEKSZRFTCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12(23)21-17(14-5-7-15(19)8-6-14)10-18(24)22-16-4-2-3-13(9-16)11-20/h2-9,17H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 51195259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).