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

C17H16ClF3N2O2 — CID 109039094

IUPACN-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-15-6-5-12(18)10-14(15)23-16(24)7-8-22-13-4-2-3-11(9-13)17(19,20)21/h2-6,9-10,22H,7-8H2,1H3,(H,23,24)
InChIKeySURBEDHJZJVVBI-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.81
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide (PubChem CID 109039094) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
PubChem CID109039094
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O2/c1-25-15-6-5-12(18)10-14(15)23-16(24)7-8-22-13-4-2-3-11(9-13)17(19,20)21/h2-6,9-10,22H,7-8H2,1H3,(H,23,24)
InChIKeySURBEDHJZJVVBI-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-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
1-(5-chloro-2-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3841185
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
CID 71981389
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
methyl 3-[3-(trifluoromethyl)anilino]propanoate
CID 43365338
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide (CID 109039094) is N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide is COc1ccc(Cl)cc1NC(=O)CCNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The InChIKey is SURBEDHJZJVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-25-15-6-5-12(18)10-14(15)23-16(24)7-8-22-13-4-2-3-11(9-13)17(19,20)21/h2-6,9-10,22H,7-8H2,1H3,(H,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]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 N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109039094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).