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

C13H18ClFN2O — CID 119261942

IUPAC1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C13H17FN2O.ClH/c14-10-4-6-11(7-5-10)16-12(17)13(15)8-2-1-3-9-13;/h4-7H,1-3,8-9,15H2,(H,16,17);1H
InChIKeyYEBSQPNILWBRKV-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.85
Rot. Bonds2

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

1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119261942) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119261942
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C13H17FN2O.ClH/c14-10-4-6-11(7-5-10)16-12(17)13(15)8-2-1-3-9-13;/h4-7H,1-3,8-9,15H2,(H,16,17);1H
InChIKeyYEBSQPNILWBRKV-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119275249
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119849089
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119261942) is 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YEBSQPNILWBRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c14-10-4-6-11(7-5-10)16-12(17)13(15)8-2-1-3-9-13;/h4-7H,1-3,8-9,15H2,(H,16,17);1H.
What are the key properties of 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119261942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).