N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide

C17H17F3N2O2 — CID 109039356

IUPACN-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
SMILESCOc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-24-15-5-3-2-4-14(15)22-16(23)10-11-21-13-8-6-12(7-9-13)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyFUVMVGPDTZRGJI-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.15
Rot. Bonds6

About N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide

N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide (PubChem CID 109039356) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
PubChem CID109039356
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
SMILESCOc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-24-15-5-3-2-4-14(15)22-16(23)10-11-21-13-8-6-12(7-9-13)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyFUVMVGPDTZRGJI-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide (CID 109039356) is N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide is COc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
The InChIKey is FUVMVGPDTZRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-24-15-5-3-2-4-14(15)22-16(23)10-11-21-13-8-6-12(7-9-13)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide?
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide has a molecular weight of 338.33 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109039356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).