3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C13H15ClF3NO3 — CID 103723354

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)C(F)(F)F)cc1Cl
InChIInChI=1S/C13H15ClF3NO3/c1-21-10-4-2-8(6-9(10)14)3-5-12(20)18-7-11(19)13(15,16)17/h2,4,6,11,19H,3,5,7H2,1H3,(H,18,20)
InChIKeyHQVBYYRMWKXFNL-UHFFFAOYSA-N
MW325.71 g/mol
LogP2.32
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103723354) has the molecular formula C13H15ClF3NO3 and a molecular weight of 325.71 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103723354
Molecular FormulaC13H15ClF3NO3
Molecular Weight325.71 g/mol
Exact Mass325.07
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)C(F)(F)F)cc1Cl
InChIInChI=1S/C13H15ClF3NO3/c1-21-10-4-2-8(6-9(10)14)3-5-12(20)18-7-11(19)13(15,16)17/h2,4,6,11,19H,3,5,7H2,1H3,(H,18,20)
InChIKeyHQVBYYRMWKXFNL-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66109278
2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726307
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 49090041
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-4-methoxybutanoic acid
CID 120703142

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103723354) is 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is COc1ccc(CCC(=O)NCC(O)C(F)(F)F)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is HQVBYYRMWKXFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO3/c1-21-10-4-2-8(6-9(10)14)3-5-12(20)18-7-11(19)13(15,16)17/h2,4,6,11,19H,3,5,7H2,1H3,(H,18,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 325.71 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103723354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).