N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide

C17H17F3N2O — CID 112990147

IUPACN-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O/c1-2-3-4-15(23)22-12-7-5-11(6-8-12)21-14-10-9-13(18)16(19)17(14)20/h5-10,21H,2-4H2,1H3,(H,22,23)
InChIKeyGEGFVAWVKICDEP-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.98
Rot. Bonds6

About N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide

N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide (PubChem CID 112990147) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
PubChem CID112990147
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O/c1-2-3-4-15(23)22-12-7-5-11(6-8-12)21-14-10-9-13(18)16(19)17(14)20/h5-10,21H,2-4H2,1H3,(H,22,23)
InChIKeyGEGFVAWVKICDEP-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
CID 113023033
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109036338
2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide
CID 112990145
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N-[4-(2-methoxyanilino)phenyl]pentanamide
CID 112987324
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide?
The IUPAC name of N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide (CID 112990147) is N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide.
What is the SMILES notation for N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide?
The canonical SMILES for N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide is CCCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide?
The InChIKey is GEGFVAWVKICDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-2-3-4-15(23)22-12-7-5-11(6-8-12)21-14-10-9-13(18)16(19)17(14)20/h5-10,21H,2-4H2,1H3,(H,22,23).
What are the key properties of N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide?
N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide has a molecular weight of 322.33 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide is sourced from PubChem (CID 112990147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).