4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide

C14H17Br2NO — CID 113275135

IUPAC4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H17Br2NO/c15-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)16/h5-8,11,13H,1-4,9H2,(H,17,18)
InChIKeyRAJGFWDFSKJRMG-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.13
Rot. Bonds3

About 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide

4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide (PubChem CID 113275135) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
PubChem CID113275135
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H17Br2NO/c15-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)16/h5-8,11,13H,1-4,9H2,(H,17,18)
InChIKeyRAJGFWDFSKJRMG-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(2-bromocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 114312220
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
4-bromo-N-[(2-pyrrolidin-1-yl-3-sulfanylcyclohexyl)methyl]benzamide
CID 57183809
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide (CID 113275135) is 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide is O=C(NCC1CCCCC1Br)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide?
The InChIKey is RAJGFWDFSKJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c15-12-7-5-10(6-8-12)14(18)17-9-11-3-1-2-4-13(11)16/h5-8,11,13H,1-4,9H2,(H,17,18).
What are the key properties of 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide?
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide has a molecular weight of 375.10 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide is sourced from PubChem (CID 113275135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).