2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide

C15H12ClF3N2O2 — CID 9103360

IUPAC2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-12-7-10(4-5-13(12)23-15(18)19)20-8-14(22)21-11-3-1-2-9(17)6-11/h1-7,15,20H,8H2,(H,21,22)
InChIKeyDDCWCIQWVCMTBF-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.13
Rot. Bonds6

About 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide

2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide (PubChem CID 9103360) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
PubChem CID9103360
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-12-7-10(4-5-13(12)23-15(18)19)20-8-14(22)21-11-3-1-2-9(17)6-11/h1-7,15,20H,8H2,(H,21,22)
InChIKeyDDCWCIQWVCMTBF-UHFFFAOYSA-N
XLogP4.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)acetamide
CID 9098936
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(2-fluorophenyl)acetamide
CID 9103338
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 26526071
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
3-chloro-4-(difluoromethoxy)-N-[(3-fluorophenyl)methyl]aniline
CID 28553815
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide (CID 9103360) is 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide is O=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1cccc(F)c1.
What is the InChIKey of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is DDCWCIQWVCMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-12-7-10(4-5-13(12)23-15(18)19)20-8-14(22)21-11-3-1-2-9(17)6-11/h1-7,15,20H,8H2,(H,21,22).
What are the key properties of 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide?
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 344.72 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9103360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).