N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide

C11H10F3NO2 — CID 91220248

IUPACN-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-7(11(12,13)14)10(16)15-8-4-3-5-9(6-8)17-2/h3-6H,1H2,2H3,(H,15,16)
InChIKeyRVROJBJKBHYVNR-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.75
Rot. Bonds3

About N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide

N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide (PubChem CID 91220248) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
PubChem CID91220248
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-7(11(12,13)14)10(16)15-8-4-3-5-9(6-8)17-2/h3-6H,1H2,2H3,(H,15,16)
InChIKeyRVROJBJKBHYVNR-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
CID 4621112
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
CID 4521751
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide (CID 91220248) is N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide is C=C(C(=O)Nc1cccc(OC)c1)C(F)(F)F.
What is the InChIKey of N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is RVROJBJKBHYVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(11(12,13)14)10(16)15-8-4-3-5-9(6-8)17-2/h3-6H,1H2,2H3,(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide?
N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 245.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 91220248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).