(Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid

C24H19F2NO4 — CID 58631918

IUPAC(Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1cccc(COc2ccc(/C=C(\NC(=O)c3ccc(F)cc3F)C(=O)O)cc2)c1
InChIInChI=1S/C24H19F2NO4/c1-15-3-2-4-17(11-15)14-31-19-8-5-16(6-9-19)12-22(24(29)30)27-23(28)20-10-7-18(25)13-21(20)26/h2-13H,14H2,1H3,(H,27,28)(H,29,30)/b22-12-
InChIKeyGSFUGMMYPBUMKM-UUYOSTAYSA-N
MW423.42 g/mol
LogP4.71
Rot. Bonds7

About (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid

(Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 58631918) has the molecular formula C24H19F2NO4 and a molecular weight of 423.42 g/mol. Its IUPAC name is (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
PubChem CID58631918
Molecular FormulaC24H19F2NO4
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name(Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1cccc(COc2ccc(/C=C(\NC(=O)c3ccc(F)cc3F)C(=O)O)cc2)c1
InChIInChI=1S/C24H19F2NO4/c1-15-3-2-4-17(11-15)14-31-19-8-5-16(6-9-19)12-22(24(29)30)27-23(28)20-10-7-18(25)13-21(20)26/h2-13H,14H2,1H3,(H,27,28)(H,29,30)/b22-12-
InChIKeyGSFUGMMYPBUMKM-UUYOSTAYSA-N
XLogP4.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.71
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

(2Z)-2-(Benzoylamino)-3-(4-(2-bromophenoxy)phenyl)acrylic acid
CID 657131
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(3-fluorobenzoyl)amino]prop-2-enoic acid
CID 5279450
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-fluorobenzoyl)amino]prop-2-enoic acid
CID 5279453
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2,4-difluorobenzoyl)amino]prop-2-enoic acid
CID 5279454
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(3,4-difluorobenzoyl)amino]prop-2-enoic acid
CID 5279455
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoic acid
CID 5279456
ethyl 3-[(4-methoxybenzoyl)amino]-2-oxo-6-phenyl-2H-pyran-5-carboxylate
CID 1473621
N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-methoxybenzenecarboxamide
CID 1473622
4-fluoro-N-(7-hydroxy-2-oxo-2H-chromen-3-yl)benzamide
CID 5701731
(Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
CID 6480706
(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid
CID 6480707
2-Benzamido-3-(4-(2-bromo-6-fluorophenoxy)phenyl)acrylic acid
CID 6480720

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid (CID 58631918) is (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid is Cc1cccc(COc2ccc(/C=C(\NC(=O)c3ccc(F)cc3F)C(=O)O)cc2)c1.
What is the InChIKey of (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is GSFUGMMYPBUMKM-UUYOSTAYSA-N. The full InChI is InChI=1S/C24H19F2NO4/c1-15-3-2-4-17(11-15)14-31-19-8-5-16(6-9-19)12-22(24(29)30)27-23(28)20-10-7-18(25)13-21(20)26/h2-13H,14H2,1H3,(H,27,28)(H,29,30)/b22-12-.
What are the key properties of (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
(Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 423.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2,4-difluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 58631918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).