1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide

C13H16Br2N2O — CID 43702659

IUPAC1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Br)cc2Br)CCCCC1
InChIInChI=1S/C13H16Br2N2O/c14-9-4-5-11(10(15)8-9)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18)
InChIKeyXVPVMVCVAFWIPI-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.81
Rot. Bonds2

About 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide

1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide (PubChem CID 43702659) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
PubChem CID43702659
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Br)cc2Br)CCCCC1
InChIInChI=1S/C13H16Br2N2O/c14-9-4-5-11(10(15)8-9)17-12(18)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2,(H,17,18)
InChIKeyXVPVMVCVAFWIPI-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
3-[(1-aminocyclobutanecarbonyl)amino]-4-bromobenzoic acid
CID 107813502

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide (CID 43702659) is 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(Br)cc2Br)CCCCC1.
What is the InChIKey of 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide?
The InChIKey is XVPVMVCVAFWIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c14-9-4-5-11(10(15)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-(2,4-dibromophenyl)cyclohexane-1-carboxamide?
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide has a molecular weight of 376.09 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43702659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).