3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide

C18H17ClN4O2 — CID 42931709

IUPAC3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O2/c1-12(24)21-16(13-6-8-14(19)9-7-13)10-18(25)22-23-11-20-15-4-2-3-5-17(15)23/h2-9,11,16H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyHCUSSPSGWPICKV-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.03
Rot. Bonds5

About 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide

3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide (PubChem CID 42931709) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide
PubChem CID42931709
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O2/c1-12(24)21-16(13-6-8-14(19)9-7-13)10-18(25)22-23-11-20-15-4-2-3-5-17(15)23/h2-9,11,16H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyHCUSSPSGWPICKV-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55439492
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-(benzimidazol-1-yl)acetamide
CID 2318657
N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 34334460
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 41482613
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-chlorophenyl)propanamide
CID 42885719

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide?
The IUPAC name of 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide (CID 42931709) is 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide is CC(=O)NC(CC(=O)Nn1cnc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide?
The InChIKey is HCUSSPSGWPICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12(24)21-16(13-6-8-14(19)9-7-13)10-18(25)22-23-11-20-15-4-2-3-5-17(15)23/h2-9,11,16H,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide?
3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 42931709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).