3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide

C17H16ClF3N2O2 — CID 109039626

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-13-5-3-12(4-6-13)23-16(24)8-9-22-15-10-11(17(19,20)21)2-7-14(15)18/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyXGGVDIZVKDCLBP-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.81
Rot. Bonds6

About 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide (PubChem CID 109039626) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
PubChem CID109039626
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-13-5-3-12(4-6-13)23-16(24)8-9-22-15-10-11(17(19,20)21)2-7-14(15)18/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyXGGVDIZVKDCLBP-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide (CID 109039626) is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is XGGVDIZVKDCLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-25-13-5-3-12(4-6-13)23-16(24)8-9-22-15-10-11(17(19,20)21)2-7-14(15)18/h2-7,10,22H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide?
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 372.77 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 109039626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).