1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide

C13H16BrClN2O — CID 55131672

IUPAC1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Br)ccc2Cl)CCCCC1
InChIInChI=1S/C13H16BrClN2O/c14-9-4-5-10(15)11(8-9)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18)
InChIKeyIMSIQNMSPASHDX-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.70
Rot. Bonds2

About 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide

1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide (PubChem CID 55131672) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
PubChem CID55131672
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Br)ccc2Cl)CCCCC1
InChIInChI=1S/C13H16BrClN2O/c14-9-4-5-10(15)11(8-9)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18)
InChIKeyIMSIQNMSPASHDX-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
CID 43703610

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide (CID 55131672) is 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2cc(Br)ccc2Cl)CCCCC1.
What is the InChIKey of 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide?
The InChIKey is IMSIQNMSPASHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-9-4-5-10(15)11(8-9)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-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide?
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55131672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).