3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide

C16H11F7N2O — CID 134104327

IUPAC3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide
SMILESO=C(CC(Nc1ccc(F)c(F)c1)C(F)(F)F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H11F7N2O/c17-10-3-1-8(5-12(10)19)24-14(16(21,22)23)7-15(26)25-9-2-4-11(18)13(20)6-9/h1-6,14,24H,7H2,(H,25,26)
InChIKeyRVTRRKBVPNTWPG-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.61
Rot. Bonds5

About 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide

3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide (PubChem CID 134104327) has the molecular formula C16H11F7N2O and a molecular weight of 380.26 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide
PubChem CID134104327
Molecular FormulaC16H11F7N2O
Molecular Weight380.26 g/mol
Exact Mass380.08
IUPAC Name3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide
SMILESO=C(CC(Nc1ccc(F)c(F)c1)C(F)(F)F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H11F7N2O/c17-10-3-1-8(5-12(10)19)24-14(16(21,22)23)7-15(26)25-9-2-4-11(18)13(20)6-9/h1-6,14,24H,7H2,(H,25,26)
InChIKeyRVTRRKBVPNTWPG-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
(2S)-2-(3,4-difluoroanilino)-2-fluoroacetic acid
CID 87546638
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
2-fluoro-4-(1,1,1-trifluorobutan-2-ylamino)benzoic acid
CID 146583768

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide (CID 134104327) is 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide is O=C(CC(Nc1ccc(F)c(F)c1)C(F)(F)F)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide?
The InChIKey is RVTRRKBVPNTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7N2O/c17-10-3-1-8(5-12(10)19)24-14(16(21,22)23)7-15(26)25-9-2-4-11(18)13(20)6-9/h1-6,14,24H,7H2,(H,25,26).
What are the key properties of 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide?
3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide has a molecular weight of 380.26 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 134104327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).