2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride

C21H26ClN3O3 — CID 119945563

IUPAC2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccccc2N)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-19-12-11-15(23-21(26)16-9-5-6-10-17(16)22)13-18(19)24-20(25)14-7-3-2-4-8-14;/h5-6,9-14H,2-4,7-8,22H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyWZTAIVNLDMUVNP-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.47
Rot. Bonds5

About 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride

2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride (PubChem CID 119945563) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
PubChem CID119945563
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccccc2N)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-19-12-11-15(23-21(26)16-9-5-6-10-17(16)22)13-18(19)24-20(25)14-7-3-2-4-8-14;/h5-6,9-14H,2-4,7-8,22H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyWZTAIVNLDMUVNP-UHFFFAOYSA-N
XLogP4.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
CID 119327991
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 120501094
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride (CID 119945563) is 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride is COc1ccc(NC(=O)c2ccccc2N)cc1NC(=O)C1CCCCC1.Cl.
What is the InChIKey of 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride?
The InChIKey is WZTAIVNLDMUVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-27-19-12-11-15(23-21(26)16-9-5-6-10-17(16)22)13-18(19)24-20(25)14-7-3-2-4-8-14;/h5-6,9-14H,2-4,7-8,22H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride?
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride is sourced from PubChem (CID 119945563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).