1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide

C13H15BrF2N2O — CID 43168327

IUPAC1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2c(F)cc(F)cc2Br)CCCCC1
InChIInChI=1S/C13H15BrF2N2O/c14-9-6-8(15)7-10(16)11(9)18-12(19)13(17)4-2-1-3-5-13/h6-7H,1-5,17H2,(H,18,19)
InChIKeyBJDCWNNDZZVOLX-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.33
Rot. Bonds2

About 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide

1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide (PubChem CID 43168327) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
PubChem CID43168327
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2c(F)cc(F)cc2Br)CCCCC1
InChIInChI=1S/C13H15BrF2N2O/c14-9-6-8(15)7-10(16)11(9)18-12(19)13(17)4-2-1-3-5-13/h6-7H,1-5,17H2,(H,18,19)
InChIKeyBJDCWNNDZZVOLX-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
CID 107641668
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119280057
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119275249
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
CID 104778247

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide (CID 43168327) is 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2c(F)cc(F)cc2Br)CCCCC1.
What is the InChIKey of 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BJDCWNNDZZVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c14-9-6-8(15)7-10(16)11(9)18-12(19)13(17)4-2-1-3-5-13/h6-7H,1-5,17H2,(H,18,19).
What are the key properties of 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide?
1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 333.18 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43168327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).