3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide

C20H21ClN4O3 — CID 49169432

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O3/c1-12(26)22-16(13-4-6-14(21)7-5-13)11-19(27)23-15-8-9-17-18(10-15)25(3)20(28)24(17)2/h4-10,16H,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyOTEZUQHGFMRSKN-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.74
Rot. Bonds5

About 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide (PubChem CID 49169432) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
PubChem CID49169432
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O3/c1-12(26)22-16(13-4-6-14(21)7-5-13)11-19(27)23-15-8-9-17-18(10-15)25(3)20(28)24(17)2/h4-10,16H,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyOTEZUQHGFMRSKN-UHFFFAOYSA-N
XLogP2.74
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55492554
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 55876842
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
CID 55379526
3-acetamido-3-(4-chlorophenyl)-N-(3-cyanophenyl)propanamide
CID 51195259
3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
CID 46585410
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide (CID 49169432) is 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide is CC(=O)NC(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
The InChIKey is OTEZUQHGFMRSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-12(26)22-16(13-4-6-14(21)7-5-13)11-19(27)23-15-8-9-17-18(10-15)25(3)20(28)24(17)2/h4-10,16H,11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide has a molecular weight of 400.87 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 49169432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).