[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

C20H19FN2O4 — CID 7485311

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)/C=C/c2ccccc2F)c(C)c1
InChIInChI=1S/C20H19FN2O4/c1-13-7-9-17(14(2)11-13)22-20(26)23-18(24)12-27-19(25)10-8-15-5-3-4-6-16(15)21/h3-11H,12H2,1-2H3,(H2,22,23,24,26)/b10-8+
InChIKeyINKGEKNADFZPIL-CSKARUKUSA-N
MW370.38 g/mol
LogP3.35
Rot. Bonds5

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 7485311) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
PubChem CID7485311
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)/C=C/c2ccccc2F)c(C)c1
InChIInChI=1S/C20H19FN2O4/c1-13-7-9-17(14(2)11-13)22-20(26)23-18(24)12-27-19(25)10-8-15-5-3-4-6-16(15)21/h3-11H,12H2,1-2H3,(H2,22,23,24,26)/b10-8+
InChIKeyINKGEKNADFZPIL-CSKARUKUSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485659
[2-(4-methylanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613193
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate
CID 8700279
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 4304363
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970861
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536890
(2-anilino-2-oxoethyl) (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613261
cis-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7776614
[2-(2,6-diethylanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970793
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970750
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate (CID 7485311) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate is Cc1ccc(NC(=O)NC(=O)COC(=O)/C=C/c2ccccc2F)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is INKGEKNADFZPIL-CSKARUKUSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-13-7-9-17(14(2)11-13)22-20(26)23-18(24)12-27-19(25)10-8-15-5-3-4-6-16(15)21/h3-11H,12H2,1-2H3,(H2,22,23,24,26)/b10-8+.
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 370.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 7485311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).