N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide

C19H17ClN4O2 — CID 51124263

IUPACN-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H17ClN4O2/c20-15-4-2-6-17(12-15)23-19(26)14-3-1-5-16(11-14)22-18(25)7-9-24-10-8-21-13-24/h1-6,8,10-13H,7,9H2,(H,22,25)(H,23,26)
InChIKeyKYYLZNAKLUBKHG-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.82
Rot. Bonds6

About N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide

N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide (PubChem CID 51124263) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
PubChem CID51124263
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H17ClN4O2/c20-15-4-2-6-17(12-15)23-19(26)14-3-1-5-16(11-14)22-18(25)7-9-24-10-8-21-13-24/h1-6,8,10-13H,7,9H2,(H,22,25)(H,23,26)
InChIKeyKYYLZNAKLUBKHG-UHFFFAOYSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide 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

methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55984370
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124285
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
3-(3-imidazol-1-ylpropanoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55987614
(2R)-2-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363020
3-(3-imidazol-1-ylpropanoylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 47557809
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide (CID 51124263) is N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide is O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The InChIKey is KYYLZNAKLUBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-4-2-6-17(12-15)23-19(26)14-3-1-5-16(11-14)22-18(25)7-9-24-10-8-21-13-24/h1-6,8,10-13H,7,9H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 51124263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).