2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

C15H12ClF2NO — CID 78768857

IUPAC2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO/c1-19(9-10-4-2-3-5-14(10)18)15(20)12-7-6-11(17)8-13(12)16/h2-8H,9H2,1H3
InChIKeyANTUJBCPKSWNTG-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 78768857) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID78768857
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO/c1-19(9-10-4-2-3-5-14(10)18)15(20)12-7-6-11(17)8-13(12)16/h2-8H,9H2,1H3
InChIKeyANTUJBCPKSWNTG-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

4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 31138592
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (CID 78768857) is 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccccc1F)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is ANTUJBCPKSWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-19(9-10-4-2-3-5-14(10)18)15(20)12-7-6-11(17)8-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
2-chloro-4-fluoro-N-[(2-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 2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78768857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).