N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide

C15H11ClF2N2O2 — CID 41305249

IUPACN-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C15H11ClF2N2O2/c1-8(21)19-14-5-3-10(7-11(14)16)20-15(22)9-2-4-12(17)13(18)6-9/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeySADNFWVYDFOAHN-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.83
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide

N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide (PubChem CID 41305249) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
PubChem CID41305249
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC NameN-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C15H11ClF2N2O2/c1-8(21)19-14-5-3-10(7-11(14)16)20-15(22)9-2-4-12(17)13(18)6-9/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeySADNFWVYDFOAHN-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide (CID 41305249) is N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide?
The InChIKey is SADNFWVYDFOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-8(21)19-14-5-3-10(7-11(14)16)20-15(22)9-2-4-12(17)13(18)6-9/h2-7H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide?
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide has a molecular weight of 324.71 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide is sourced from PubChem (CID 41305249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).