5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

C15H12ClF2NO — CID 60674642

IUPAC5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClF2NO/c1-19(9-10-3-2-4-12(17)7-10)15(20)13-8-11(16)5-6-14(13)18/h2-8H,9H2,1H3
InChIKeyHVDHFZIWWOMJFQ-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.89
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 60674642) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID60674642
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClF2NO/c1-19(9-10-3-2-4-12(17)7-10)15(20)13-8-11(16)5-6-14(13)18/h2-8H,9H2,1H3
InChIKeyHVDHFZIWWOMJFQ-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (CID 60674642) is 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(F)c1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is HVDHFZIWWOMJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-19(9-10-3-2-4-12(17)7-10)15(20)13-8-11(16)5-6-14(13)18/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 295.72 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60674642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).