2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C15H12Cl2FNO — CID 112792625

IUPAC2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FNO/c1-19(9-10-5-7-11(18)8-6-10)15(20)12-3-2-4-13(16)14(12)17/h2-8H,9H2,1H3
InChIKeyAVPNTDWYLONNBM-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.40
Rot. Bonds3

About 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 112792625) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID112792625
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FNO/c1-19(9-10-5-7-11(18)8-6-10)15(20)12-3-2-4-13(16)14(12)17/h2-8H,9H2,1H3
InChIKeyAVPNTDWYLONNBM-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
CID 37417321
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 18112706
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
N-[(4-fluorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057227
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 112792625) is 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is AVPNTDWYLONNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-19(9-10-5-7-11(18)8-6-10)15(20)12-3-2-4-13(16)14(12)17/h2-8H,9H2,1H3.
What are the key properties of 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 312.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 112792625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).