3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate

C24H18FN2O5- — CID 2269758

IUPAC3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate
SMILESCOc1ccccc1C(=O)N/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C24H19FN2O5/c1-32-21-8-3-2-7-19(21)22(28)27-20(13-15-9-11-17(25)12-10-15)23(29)26-18-6-4-5-16(14-18)24(30)31/h2-14H,1H3,(H,26,29)(H,27,28)(H,30,31)/p-1/b20-13+
InChIKeyITMAVTKBNCFQEP-DEDYPNTBSA-M
MW433.42 g/mol
LogP2.61
Rot. Bonds7

About 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate

3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate (PubChem CID 2269758) has the molecular formula C24H18FN2O5- and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Name3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate
PubChem CID2269758
Molecular FormulaC24H18FN2O5-
Molecular Weight433.42 g/mol
Exact Mass433.12
IUPAC Name3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate
SMILESCOc1ccccc1C(=O)N/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C24H19FN2O5/c1-32-21-8-3-2-7-19(21)22(28)27-20(13-15-9-11-17(25)12-10-15)23(29)26-18-6-4-5-16(14-18)24(30)31/h2-14H,1H3,(H,26,29)(H,27,28)(H,30,31)/p-1/b20-13+
InChIKeyITMAVTKBNCFQEP-DEDYPNTBSA-M
XLogP2.61
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(E)-2-[(2-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 2270198
3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 7376056
ethyl 4-[[3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate
CID 1352143
N-[1-(4-fluorophenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 4672413
methyl 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1367571
methyl 3-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2270579
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396
N-[(Z)-3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497193
2-chloro-N-[(Z)-1-(4-fluorophenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6528938
2-chloro-N-[(E)-1-(4-fluorophenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6140838
N-[(Z)-3-[3-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301636
3-[[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1367341

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate?
The IUPAC name of 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate (CID 2269758) is 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate.
What is the SMILES notation for 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate?
The canonical SMILES for 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate is COc1ccccc1C(=O)N/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate?
The InChIKey is ITMAVTKBNCFQEP-DEDYPNTBSA-M. The full InChI is InChI=1S/C24H19FN2O5/c1-32-21-8-3-2-7-19(21)22(28)27-20(13-15-9-11-17(25)12-10-15)23(29)26-18-6-4-5-16(14-18)24(30)31/h2-14H,1H3,(H,26,29)(H,27,28)(H,30,31)/p-1/b20-13+.
What are the key properties of 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate?
3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate has a molecular weight of 433.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate is sourced from PubChem (CID 2269758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).