2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide

C17H15F3N2O2 — CID 173151709

IUPAC2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide
SMILESNC(=O)c1cc(NC(=O)CCCc2ccccc2)c(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2/c18-14-11(17(21)24)9-12(15(19)16(14)20)22-13(23)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,21,24)(H,22,23)
InChIKeyVJQOKSHFXRQFEY-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.16
Rot. Bonds6

About 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide

2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide (PubChem CID 173151709) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide
PubChem CID173151709
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide
SMILESNC(=O)c1cc(NC(=O)CCCc2ccccc2)c(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2/c18-14-11(17(21)24)9-12(15(19)16(14)20)22-13(23)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,21,24)(H,22,23)
InChIKeyVJQOKSHFXRQFEY-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.16
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

2,3,4-trifluoro-6-(4-phenylbutanoylamino)benzamide
CID 173151938
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
CID 94281790
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-4-phenylbutanamide
CID 166970035
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(5-amino-2-bromo-4-methylphenyl)-4-phenylbutanamide
CID 104814385
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide?
The IUPAC name of 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide (CID 173151709) is 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide?
The canonical SMILES for 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide is NC(=O)c1cc(NC(=O)CCCc2ccccc2)c(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide?
The InChIKey is VJQOKSHFXRQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-14-11(17(21)24)9-12(15(19)16(14)20)22-13(23)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,21,24)(H,22,23).
What are the key properties of 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide?
2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide has a molecular weight of 336.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide is sourced from PubChem (CID 173151709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).