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

C20H24ClN3O2 — CID 119814644

IUPAC3-amino-N-[3-(cyclohexanecarbonylamino)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;/h4-5,8-14H,1-3,6-7,21H2,(H,22,24)(H,23,25);1H
InChIKeyAWAJUKAECUZFGU-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.46
Rot. Bonds4

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

3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride (PubChem CID 119814644) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
PubChem CID119814644
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-amino-N-[3-(cyclohexanecarbonylamino)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;/h4-5,8-14H,1-3,6-7,21H2,(H,22,24)(H,23,25);1H
InChIKeyAWAJUKAECUZFGU-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
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3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
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N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
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N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
N-(4-cyclopentyloxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 46585132
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
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methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride (CID 119814644) is 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1.
What is the InChIKey of 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride?
The InChIKey is AWAJUKAECUZFGU-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;/h4-5,8-14H,1-3,6-7,21H2,(H,22,24)(H,23,25);1H.
What are the key properties of 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride?
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119814644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).