4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride

C16H24Cl2N2O — CID 119775791

IUPAC4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
SMILESCC(C)C1CCCCC1NC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(18)9-14(13)17;/h7-10,12,15H,3-6,18H2,1-2H3,(H,19,20);1H
InChIKeyAQJZBSMRQROILD-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.29
Rot. Bonds3

About 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride

4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride (PubChem CID 119775791) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
PubChem CID119775791
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
SMILESCC(C)C1CCCCC1NC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(18)9-14(13)17;/h7-10,12,15H,3-6,18H2,1-2H3,(H,19,20);1H
InChIKeyAQJZBSMRQROILD-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide
CID 82813808
2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
CID 107033555
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
CID 119736471
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017
3-(methylamino)-N-(2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 105070917
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107689521

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride (CID 119775791) is 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride is CC(C)C1CCCCC1NC(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride?
The InChIKey is AQJZBSMRQROILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(18)9-14(13)17;/h7-10,12,15H,3-6,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride?
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride is sourced from PubChem (CID 119775791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).