1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide

C14H19BrN2O — CID 61402383

IUPAC1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccccc2Br)CCCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-7-3-2-6-11(12)10-17-13(18)14(16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,18)
InChIKeyUKJXWMXTAWZLHT-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.73
Rot. Bonds3

About 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide

1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 61402383) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID61402383
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccccc2Br)CCCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-7-3-2-6-11(12)10-17-13(18)14(16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,18)
InChIKeyUKJXWMXTAWZLHT-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707366
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
CID 113311677
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
methyl 1-[(2-bromophenyl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184298
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide (CID 61402383) is 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2ccccc2Br)CCCCC1.
What is the InChIKey of 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UKJXWMXTAWZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-7-3-2-6-11(12)10-17-13(18)14(16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,16H2,(H,17,18).
What are the key properties of 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide?
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61402383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).