1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide

C14H18BrClN2O — CID 103479480

IUPAC1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Cl)c2Br)CCCCC1
InChIInChI=1S/C14H18BrClN2O/c15-12-10(16)5-4-6-11(12)18-13(19)14(9-17)7-2-1-3-8-14/h4-6H,1-3,7-9,17H2,(H,18,19)
InChIKeyWTILMENWQBVDRB-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.95
Rot. Bonds3

About 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide (PubChem CID 103479480) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
PubChem CID103479480
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Cl)c2Br)CCCCC1
InChIInChI=1S/C14H18BrClN2O/c15-12-10(16)5-4-6-11(12)18-13(19)14(9-17)7-2-1-3-8-14/h4-6H,1-3,7-9,17H2,(H,18,19)
InChIKeyWTILMENWQBVDRB-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 114257264
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
CID 115438956

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide (CID 103479480) is 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide is NCC1(C(=O)Nc2cccc(Cl)c2Br)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide?
The InChIKey is WTILMENWQBVDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c15-12-10(16)5-4-6-11(12)18-13(19)14(9-17)7-2-1-3-8-14/h4-6H,1-3,7-9,17H2,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103479480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).