N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide

C15H11F2N3O — CID 81287246

IUPACN-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2c(F)cc(C#N)cc2F)c1
InChIInChI=1S/C15H11F2N3O/c1-9(21)19-11-3-2-4-12(7-11)20-15-13(16)5-10(8-18)6-14(15)17/h2-7,20H,1H3,(H,19,21)
InChIKeyKIOXYCCTMJWJRX-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.54
Rot. Bonds3

About N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide

N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide (PubChem CID 81287246) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide
PubChem CID81287246
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2c(F)cc(C#N)cc2F)c1
InChIInChI=1S/C15H11F2N3O/c1-9(21)19-11-3-2-4-12(7-11)20-15-13(16)5-10(8-18)6-14(15)17/h2-7,20H,1H3,(H,19,21)
InChIKeyKIOXYCCTMJWJRX-UHFFFAOYSA-N
XLogP3.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile
CID 81283252
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-[3-(4-bromo-2-cyanoanilino)phenyl]acetamide
CID 114890421
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
3-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644811
(5-cyano-2-fluorophenyl)methyl 3-acetamidobenzoate
CID 17406508
N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
CID 114479664

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide?
The IUPAC name of N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide (CID 81287246) is N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide?
The canonical SMILES for N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide is CC(=O)Nc1cccc(Nc2c(F)cc(C#N)cc2F)c1.
What is the InChIKey of N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide?
The InChIKey is KIOXYCCTMJWJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-9(21)19-11-3-2-4-12(7-11)20-15-13(16)5-10(8-18)6-14(15)17/h2-7,20H,1H3,(H,19,21).
What are the key properties of N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide?
N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide has a molecular weight of 287.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide is sourced from PubChem (CID 81287246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).