5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide

C12H14F4N2O — CID 106238921

IUPAC5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
SMILESNC(=O)CCCCNc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H14F4N2O/c13-9-7-8(12(14,15)16)4-5-10(9)18-6-2-1-3-11(17)19/h4-5,7,18H,1-3,6H2,(H2,17,19)
InChIKeyKZHRTTCWTFVMGG-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.91
Rot. Bonds6

About 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide

5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide (PubChem CID 106238921) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
PubChem CID106238921
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
SMILESNC(=O)CCCCNc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H14F4N2O/c13-9-7-8(12(14,15)16)4-5-10(9)18-6-2-1-3-11(17)19/h4-5,7,18H,1-3,6H2,(H2,17,19)
InChIKeyKZHRTTCWTFVMGG-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
ethyl 4-[2-fluoro-4-(trifluoromethyl)anilino]butanoate
CID 107303292
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
3-[2-[2-fluoro-4-(trifluoromethyl)anilino]ethylsulfanyl]propan-1-ol
CID 103702971
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107303273
methyl 4-[2-fluoro-5-(trifluoromethyl)anilino]butanoate
CID 55145548

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide (CID 106238921) is 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide is NC(=O)CCCCNc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide?
The InChIKey is KZHRTTCWTFVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c13-9-7-8(12(14,15)16)4-5-10(9)18-6-2-1-3-11(17)19/h4-5,7,18H,1-3,6H2,(H2,17,19).
What are the key properties of 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide?
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide has a molecular weight of 278.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide is sourced from PubChem (CID 106238921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).