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

C16H14Cl2FNO — CID 81480668

IUPACN-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C16H14Cl2FNO/c1-10-4-3-5-12(15(10)19)16(21)20(2)9-11-6-7-13(17)14(18)8-11/h3-8H,9H2,1-2H3
InChIKeyHQBWBGFVSUNUBL-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.71
Rot. Bonds3

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

N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide (PubChem CID 81480668) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
PubChem CID81480668
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C16H14Cl2FNO/c1-10-4-3-5-12(15(10)19)16(21)20(2)9-11-6-7-13(17)14(18)8-11/h3-8H,9H2,1-2H3
InChIKeyHQBWBGFVSUNUBL-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
CID 61118547
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
CID 39915950
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide (CID 81480668) is N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1F.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is HQBWBGFVSUNUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-10-4-3-5-12(15(10)19)16(21)20(2)9-11-6-7-13(17)14(18)8-11/h3-8H,9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide has a molecular weight of 326.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 81480668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).