N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide

C24H21FN2O3 — CID 4941568

IUPACN-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O3/c1-2-30-20-14-12-19(13-15-20)26-24(29)21-5-3-4-6-22(21)27-23(28)16-9-17-7-10-18(25)11-8-17/h3-16H,2H2,1H3,(H,26,29)(H,27,28)
InChIKeyCPNZSRBMYDDUDX-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.13
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide

N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide (PubChem CID 4941568) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
PubChem CID4941568
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC NameN-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O3/c1-2-30-20-14-12-19(13-15-20)26-24(29)21-5-3-4-6-22(21)27-23(28)16-9-17-7-10-18(25)11-8-17/h3-16H,2H2,1H3,(H,26,29)(H,27,28)
InChIKeyCPNZSRBMYDDUDX-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]benzoate
CID 724690
(E)-N-[(4-ethoxyphenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 920816
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 6234822
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9402292
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
N-(4-ethoxyphenyl)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6234826

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide (CID 4941568) is N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide?
The InChIKey is CPNZSRBMYDDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-2-30-20-14-12-19(13-15-20)26-24(29)21-5-3-4-6-22(21)27-23(28)16-9-17-7-10-18(25)11-8-17/h3-16H,2H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide?
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide has a molecular weight of 404.44 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 4941568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).