4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

C13H17Cl2FN2O — CID 122672313

IUPAC4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H16ClFN2O.ClH/c14-11-7-9(15)3-6-12(11)17-13(18)8-1-4-10(16)5-2-8;/h3,6-8,10H,1-2,4-5,16H2,(H,17,18);1H
InChIKeyVFGABXLIYHDKFF-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.36
Rot. Bonds2

About 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 122672313) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID122672313
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC Name4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H16ClFN2O.ClH/c14-11-7-9(15)3-6-12(11)17-13(18)8-1-4-10(16)5-2-8;/h3,6-8,10H,1-2,4-5,16H2,(H,17,18);1H
InChIKeyVFGABXLIYHDKFF-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 122672313) is 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VFGABXLIYHDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O.ClH/c14-11-7-9(15)3-6-12(11)17-13(18)8-1-4-10(16)5-2-8;/h3,6-8,10H,1-2,4-5,16H2,(H,17,18);1H.
What are the key properties of 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 307.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 122672313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).