3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

C14H20Cl2N2O — CID 119705338

IUPAC3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9-5-6-12(15)13(7-9)17-14(18)10-3-2-4-11(16)8-10;/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyTUSUXUXHLNZIEJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.53
Rot. Bonds2

About 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119705338) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119705338
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9-5-6-12(15)13(7-9)17-14(18)10-3-2-4-11(16)8-10;/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyTUSUXUXHLNZIEJ-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119707616
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CID 119707704
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
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3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
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N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
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3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
CID 119759863
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
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3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119705338) is 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is Cc1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is TUSUXUXHLNZIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-9-5-6-12(15)13(7-9)17-14(18)10-3-2-4-11(16)8-10;/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119705338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).