2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

C15H13F2NO2 — CID 110779966

IUPAC2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2F)cc1F
InChIInChI=1S/C15H13F2NO2/c1-20-14-7-6-10(8-13(14)17)9-18-15(19)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNGUBDBSBLIQMIP-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.90
Rot. Bonds4

About 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (PubChem CID 110779966) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
PubChem CID110779966
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2F)cc1F
InChIInChI=1S/C15H13F2NO2/c1-20-14-7-6-10(8-13(14)17)9-18-15(19)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNGUBDBSBLIQMIP-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
CID 167945432
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
2-[(4-carboxy-3-fluorophenyl)methylcarbamoyl]-6-methoxybenzoic acid
CID 122575722
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906161

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (CID 110779966) is 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The InChIKey is NGUBDBSBLIQMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-14-7-6-10(8-13(14)17)9-18-15(19)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110779966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).