3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide

C13H16F2N2O — CID 55146164

IUPAC3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C13H16F2N2O/c14-9-4-5-11(15)12(7-9)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)
InChIKeyQKBBZWSCTDHRNE-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide

3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide (PubChem CID 55146164) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
PubChem CID55146164
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C13H16F2N2O/c14-9-4-5-11(15)12(7-9)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)
InChIKeyQKBBZWSCTDHRNE-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide (CID 55146164) is 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is QKBBZWSCTDHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-9-4-5-11(15)12(7-9)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18).
What are the key properties of 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide?
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55146164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).