3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide

C15H13F2NO2 — CID 30491738

IUPAC3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)11-5-6-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZKGPLMISPWASLP-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.90
Rot. Bonds4

About 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide

3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 30491738) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID30491738
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)11-5-6-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZKGPLMISPWASLP-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

3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide (CID 30491738) is 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is ZKGPLMISPWASLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-12-4-2-3-10(7-12)9-18-15(19)11-5-6-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide?
3,4-difluoro-N-[(3-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 3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 30491738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).