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

C18H18F3N3O2 — CID 51242154

IUPAC2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2/c1-11(22-13-7-9-14(10-8-13)23-12(2)25)17(26)24-16-6-4-3-5-15(16)18(19,20)21/h3-11,22H,1-2H3,(H,23,25)(H,24,26)
InChIKeyXDKVFJUMGHVBLT-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.10
Rot. Bonds5

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

2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51242154) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51242154
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2/c1-11(22-13-7-9-14(10-8-13)23-12(2)25)17(26)24-16-6-4-3-5-15(16)18(19,20)21/h3-11,22H,1-2H3,(H,23,25)(H,24,26)
InChIKeyXDKVFJUMGHVBLT-UHFFFAOYSA-N
XLogP4.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
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
2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24564727
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42952048
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51242154) is 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(=O)Nc1ccc(NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XDKVFJUMGHVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11(22-13-7-9-14(10-8-13)23-12(2)25)17(26)24-16-6-4-3-5-15(16)18(19,20)21/h3-11,22H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 365.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51242154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).