4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide

C16H15F2NO — CID 115745141

IUPAC4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H15F2NO/c1-11-8-14(18)6-7-15(11)16(20)19(2)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyGJBGLRSATQAKRT-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.55
Rot. Bonds3

About 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide

4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 115745141) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
PubChem CID115745141
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H15F2NO/c1-11-8-14(18)6-7-15(11)16(20)19(2)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyGJBGLRSATQAKRT-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
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5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
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N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78852267
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide (CID 115745141) is 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide is Cc1cc(F)ccc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is GJBGLRSATQAKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-11-8-14(18)6-7-15(11)16(20)19(2)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 275.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 115745141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).