N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide

C16H13ClFNO2 — CID 71969035

IUPACN-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2C)c1
InChIInChI=1S/C16H13ClFNO2/c1-9-3-5-12(18)8-13(9)16(21)19-15-7-11(10(2)20)4-6-14(15)17/h3-8H,1-2H3,(H,19,21)
InChIKeyWSRINZSNISRWRG-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.24
Rot. Bonds3

About N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide

N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide (PubChem CID 71969035) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
PubChem CID71969035
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC NameN-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2C)c1
InChIInChI=1S/C16H13ClFNO2/c1-9-3-5-12(18)8-13(9)16(21)19-15-7-11(10(2)20)4-6-14(15)17/h3-8H,1-2H3,(H,19,21)
InChIKeyWSRINZSNISRWRG-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956193
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298760
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
5-fluoro-N-(2-iodophenyl)-2-methylbenzamide
CID 33037108
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide (CID 71969035) is N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide is CC(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2C)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is WSRINZSNISRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-9-3-5-12(18)8-13(9)16(21)19-15-7-11(10(2)20)4-6-14(15)17/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide?
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide has a molecular weight of 305.74 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 71969035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).