2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H14ClF3N2O — CID 51242458

IUPAC2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14ClF3N2O/c1-10(21-12-8-6-11(17)7-9-12)15(23)22-14-5-3-2-4-13(14)16(18,19)20/h2-10,21H,1H3,(H,22,23)
InChIKeyJIFLQADPKYULOM-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51242458) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51242458
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14ClF3N2O/c1-10(21-12-8-6-11(17)7-9-12)15(23)22-14-5-3-2-4-13(14)16(18,19)20/h2-10,21H,1H3,(H,22,23)
InChIKeyJIFLQADPKYULOM-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
CID 55430490
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51243791
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 18280724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51242458) is 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JIFLQADPKYULOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c1-10(21-12-8-6-11(17)7-9-12)15(23)22-14-5-3-2-4-13(14)16(18,19)20/h2-10,21H,1H3,(H,22,23).
What are the key properties of 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 342.75 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51242458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).