N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide

C15H12ClF3N2O — CID 109038175

IUPACN-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3N2O/c16-9-1-3-10(4-2-9)21-13(22)7-8-20-12-6-5-11(17)14(18)15(12)19/h1-6,20H,7-8H2,(H,21,22)
InChIKeySQYQMFNDWVHALG-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.20
Rot. Bonds5

About N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide

N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 109038175) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID109038175
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC NameN-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3N2O/c16-9-1-3-10(4-2-9)21-13(22)7-8-20-12-6-5-11(17)14(18)15(12)19/h1-6,20H,7-8H2,(H,21,22)
InChIKeySQYQMFNDWVHALG-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.20
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-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109036338
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
CID 112990147
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide (CID 109038175) is N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide is O=C(CCNc1ccc(F)c(F)c1F)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is SQYQMFNDWVHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c16-9-1-3-10(4-2-9)21-13(22)7-8-20-12-6-5-11(17)14(18)15(12)19/h1-6,20H,7-8H2,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide?
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 328.72 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 109038175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).