N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide

C14H17BrFNO2 — CID 114309013

IUPACN-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C14H17BrFNO2/c1-19-12-4-2-3-11(16)13(12)14(18)17-10-7-5-9(15)6-8-10/h2-4,9-10H,5-8H2,1H3,(H,17,18)
InChIKeyRJZZUVWZKROQGG-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.27
Rot. Bonds3

About N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide

N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide (PubChem CID 114309013) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
PubChem CID114309013
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C14H17BrFNO2/c1-19-12-4-2-3-11(16)13(12)14(18)17-10-7-5-9(15)6-8-10/h2-4,9-10H,5-8H2,1H3,(H,17,18)
InChIKeyRJZZUVWZKROQGG-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide (CID 114309013) is N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is RJZZUVWZKROQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-19-12-4-2-3-11(16)13(12)14(18)17-10-7-5-9(15)6-8-10/h2-4,9-10H,5-8H2,1H3,(H,17,18).
What are the key properties of N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide?
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 330.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 114309013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).