3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride

C20H24ClN3O2 — CID 119747179

IUPAC3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O2.ClH/c21-16-6-4-5-15(13-16)20(25)23-18-11-9-14(10-12-18)19(24)22-17-7-2-1-3-8-17;/h4-6,9-13,17H,1-3,7-8,21H2,(H,22,24)(H,23,25);1H
InChIKeyBWYSIZMDXFBHAX-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.01
Rot. Bonds4

About 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride

3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride (PubChem CID 119747179) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
PubChem CID119747179
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O2.ClH/c21-16-6-4-5-15(13-16)20(25)23-18-11-9-14(10-12-18)19(24)22-17-7-2-1-3-8-17;/h4-6,9-13,17H,1-3,7-8,21H2,(H,22,24)(H,23,25);1H
InChIKeyBWYSIZMDXFBHAX-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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

4-benzamido-N-cyclopentylbenzamide
CID 1262350
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
3-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]benzamide;dihydrochloride
CID 119890862
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28587698
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride (CID 119747179) is 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride?
The InChIKey is BWYSIZMDXFBHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-16-6-4-5-15(13-16)20(25)23-18-11-9-14(10-12-18)19(24)22-17-7-2-1-3-8-17;/h4-6,9-13,17H,1-3,7-8,21H2,(H,22,24)(H,23,25);1H.
What are the key properties of 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride?
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119747179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).