2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide

C14H10Cl2FNO — CID 885992

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNO/c1-8-2-4-10(11(15)6-8)14(19)18-9-3-5-13(17)12(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyUBYYYGHZAKKCAJ-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.69
Rot. Bonds2

About 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide

2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide (PubChem CID 885992) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
PubChem CID885992
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNO/c1-8-2-4-10(11(15)6-8)14(19)18-9-3-5-13(17)12(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyUBYYYGHZAKKCAJ-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide (CID 885992) is 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide?
The InChIKey is UBYYYGHZAKKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c1-8-2-4-10(11(15)6-8)14(19)18-9-3-5-13(17)12(16)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide has a molecular weight of 298.14 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 885992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).