N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

C19H20FNO3 — CID 5127825

IUPACN-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C19H20FNO3/c1-3-12-24-17-10-8-14(13-18(17)23-2)9-11-19(22)21-16-7-5-4-6-15(16)20/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyQADVEQQTQRGQDO-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.28
Rot. Bonds7

About N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (PubChem CID 5127825) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
PubChem CID5127825
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C19H20FNO3/c1-3-12-24-17-10-8-14(13-18(17)23-2)9-11-19(22)21-16-7-5-4-6-15(16)20/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyQADVEQQTQRGQDO-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140
(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 55340127
N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide
CID 27131162
2-[[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 89064883
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
(E)-N-(4-bromo-2-fluorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 53267301
N-(2-fluorophenyl)-2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700109
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 4224141
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889825
(E)-N-(2-butoxyphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 52707582
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (CID 5127825) is N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(C=CC(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The InChIKey is QADVEQQTQRGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-12-24-17-10-8-14(13-18(17)23-2)9-11-19(22)21-16-7-5-4-6-15(16)20/h4-11,13H,3,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide has a molecular weight of 329.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5127825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).