1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide

C13H16BrFN2O — CID 65436937

IUPAC1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Br)c(F)c2)CCCCC1
InChIInChI=1S/C13H16BrFN2O/c14-10-5-4-9(8-11(10)15)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18)
InChIKeyNGXDGOUJUSVMBG-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.19
Rot. Bonds2

About 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide

1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 65436937) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID65436937
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Br)c(F)c2)CCCCC1
InChIInChI=1S/C13H16BrFN2O/c14-10-5-4-9(8-11(10)15)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18)
InChIKeyNGXDGOUJUSVMBG-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119280057
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
CID 104778247
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
CID 43168327
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide (CID 65436937) is 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(Br)c(F)c2)CCCCC1.
What is the InChIKey of 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is NGXDGOUJUSVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-10-5-4-9(8-11(10)15)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18).
What are the key properties of 1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide?
1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 3.19, 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-bromo-3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65436937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).