N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide

C24H22FNO4 — CID 72688755

IUPACN-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(F)c(NC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1OC
InChIInChI=1S/C24H22FNO4/c1-28-22-14-20(25)21(15-23(22)29-2)26-24(27)12-11-17-9-6-10-19(13-17)30-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,27)
InChIKeyNDWJZFJWGDMRSF-UHFFFAOYSA-N
MW407.44 g/mol
LogP5.07
Rot. Bonds8

About N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide

N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 72688755) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
PubChem CID72688755
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC NameN-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(F)c(NC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1OC
InChIInChI=1S/C24H22FNO4/c1-28-22-14-20(25)21(15-23(22)29-2)26-24(27)12-11-17-9-6-10-19(13-17)30-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,27)
InChIKeyNDWJZFJWGDMRSF-UHFFFAOYSA-N
XLogP5.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-N,N-dimethyl-2-[[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 32515361
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 45376472
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770
N-[2-[3-(3-phenylmethoxyphenyl)prop-2-enoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736389
(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 35053594
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685549
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid
CID 45427989

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide (CID 72688755) is N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide is COc1cc(F)c(NC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1OC.
What is the InChIKey of N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is NDWJZFJWGDMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-28-22-14-20(25)21(15-23(22)29-2)26-24(27)12-11-17-9-6-10-19(13-17)30-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,27).
What are the key properties of N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 407.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 72688755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).