N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride

C20H24ClN3O2 — CID 119709587

IUPACN-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1
InChIInChI=1S/C20H23N3O2.ClH/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14;/h1-3,5-7,10-11,13,15-16H,4,8-9,12,21H2,(H,22,24)(H,23,25);1H
InChIKeyRXTRJCDZVWYZQX-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.82
Rot. Bonds4

About N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride

N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride (PubChem CID 119709587) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
PubChem CID119709587
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1
InChIInChI=1S/C20H23N3O2.ClH/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14;/h1-3,5-7,10-11,13,15-16H,4,8-9,12,21H2,(H,22,24)(H,23,25);1H
InChIKeyRXTRJCDZVWYZQX-UHFFFAOYSA-N
XLogP3.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride 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-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide
CID 119893878
3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712321
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride (CID 119709587) is N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1.
What is the InChIKey of N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride?
The InChIKey is RXTRJCDZVWYZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14;/h1-3,5-7,10-11,13,15-16H,4,8-9,12,21H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride?
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119709587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).