2-bromo-N-[4-(methylamino)cyclohexyl]benzamide

C14H19BrN2O — CID 79110364

IUPAC2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O/c1-16-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyGHRCWXWXMXFUPT-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide

2-bromo-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 79110364) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID79110364
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O/c1-16-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyGHRCWXWXMXFUPT-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917636
2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
CID 154739991
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559685
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
4-bromo-N-cyclopropylnaphthalene-1-carboxamide
CID 70699727
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide (CID 79110364) is 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(NC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is GHRCWXWXMXFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-16-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide?
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 79110364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).