4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide

C14H18BrNO — CID 1234533

IUPAC4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyWTGMYDSRFATLGF-GWCFXTLKSA-N
MW296.21 g/mol
LogP3.76
Rot. Bonds2

About 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide

4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide (PubChem CID 1234533) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
PubChem CID1234533
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyWTGMYDSRFATLGF-GWCFXTLKSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
CID 165362467
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The IUPAC name of 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide (CID 1234533) is 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide is C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
The InChIKey is WTGMYDSRFATLGF-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3,(H,16,17)/t10-,13-/m0/s1.
What are the key properties of 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide?
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide has a molecular weight of 296.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 1234533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).