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

C14H17BrFNO2 — CID 102885227

IUPACN-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Br)CC2)c(F)c1
InChIInChI=1S/C14H17BrFNO2/c1-19-11-6-7-12(13(16)8-11)14(18)17-10-4-2-9(15)3-5-10/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyDNLPNEKGQNYQAQ-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.27
Rot. Bonds3

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

N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102885227) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
PubChem CID102885227
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Br)CC2)c(F)c1
InChIInChI=1S/C14H17BrFNO2/c1-19-11-6-7-12(13(16)8-11)14(18)17-10-4-2-9(15)3-5-10/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyDNLPNEKGQNYQAQ-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'}

Analyze N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
CID 119476668
2-fluoro-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603316
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887835
[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887546

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide (CID 102885227) is N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC(Br)CC2)c(F)c1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is DNLPNEKGQNYQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-19-11-6-7-12(13(16)8-11)14(18)17-10-4-2-9(15)3-5-10/h6-10H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide?
N-(4-bromocyclohexyl)-2-fluoro-4-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-4-methoxybenzamide is sourced from PubChem (CID 102885227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).