N-(3-chloro-4-fluorophenyl)benzamide

C13H9ClFNO — CID 569594

IUPACN-(3-chloro-4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C13H9ClFNO/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKeyKDWBMZLQPODRSV-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.73
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)benzamide

N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 569594) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)benzamide
PubChem CID569594
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC NameN-(3-chloro-4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C13H9ClFNO/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKeyKDWBMZLQPODRSV-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diflubenzuron
CID 37123
Teflubenzuron
CID 91734
Benodanil
CID 27195
Benzanilide
CID 7168
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
4'-Methylbenzanilide
CID 68497
3-Aminobenzanilide
CID 84347
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
2'-Methylbenzanilide
CID 71100

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)benzamide (CID 569594) is N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is KDWBMZLQPODRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)benzamide?
N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 249.67 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 569594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).