3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide

C18H19ClFNO2 — CID 13176414

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H19ClFNO2/c1-12(2)10-21-18(22)13-5-3-6-14(9-13)23-11-15-16(19)7-4-8-17(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyQDPQGHCSPUGTTO-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.44
Rot. Bonds6

About 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide

3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide (PubChem CID 13176414) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
PubChem CID13176414
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H19ClFNO2/c1-12(2)10-21-18(22)13-5-3-6-14(9-13)23-11-15-16(19)7-4-8-17(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyQDPQGHCSPUGTTO-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide 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

3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
CID 178141229
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111448156
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
1-[3-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioyl]piperidine-4-carboxamide
CID 126202313
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide (CID 13176414) is 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(OCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
The InChIKey is QDPQGHCSPUGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12(2)10-21-18(22)13-5-3-6-14(9-13)23-11-15-16(19)7-4-8-17(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide has a molecular weight of 335.81 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 13176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).