N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

C17H16FNO2 — CID 4797449

IUPACN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-21-16-5-3-2-4-14(16)8-11-17(20)19-12-13-6-9-15(18)10-7-13/h2-11H,12H2,1H3,(H,19,20)
InChIKeyXUTJUIISKCNXLI-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.16
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 4797449) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID4797449
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-21-16-5-3-2-4-14(16)8-11-17(20)19-12-13-6-9-15(18)10-7-13/h2-11H,12H2,1H3,(H,19,20)
InChIKeyXUTJUIISKCNXLI-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.16
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-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-3-(2-methoxyphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933916
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933915
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(E)-3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 54885197
(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 60584791
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052807
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 4797449) is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is XUTJUIISKCNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-16-5-3-2-4-14(16)8-11-17(20)19-12-13-6-9-15(18)10-7-13/h2-11H,12H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 285.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4797449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).