(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide

C18H17FN2O3 — CID 60576782

IUPAC(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O3/c1-12(22)20-16-9-8-15(24-2)11-17(16)21-18(23)10-5-13-3-6-14(19)7-4-13/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-5+
InChIKeyYIWDFOQDYYNROX-BJMVGYQFSA-N
MW328.34 g/mol
LogP3.44
Rot. Bonds5

About (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 60576782) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID60576782
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O3/c1-12(22)20-16-9-8-15(24-2)11-17(16)21-18(23)10-5-13-3-6-14(19)7-4-13/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-5+
InChIKeyYIWDFOQDYYNROX-BJMVGYQFSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.44
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

(E)-N-[2-[(2-aminoacetyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 39192678
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
CID 72684553
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 60576631
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 60576782) is (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide is COc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is YIWDFOQDYYNROX-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-12(22)20-16-9-8-15(24-2)11-17(16)21-18(23)10-5-13-3-6-14(19)7-4-13/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-5+.
What are the key properties of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 328.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 60576782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).