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

C24H20FNO4 — CID 58631762

IUPAC(Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1cccc(COc2ccc(/C=C(\NC(=O)c3ccccc3F)C(=O)O)cc2)c1
InChIInChI=1S/C24H20FNO4/c1-16-5-4-6-18(13-16)15-30-19-11-9-17(10-12-19)14-22(24(28)29)26-23(27)20-7-2-3-8-21(20)25/h2-14H,15H2,1H3,(H,26,27)(H,28,29)/b22-14-
InChIKeyKAPQYOWCJBVCTN-HMAPJEAMSA-N
MW405.43 g/mol
LogP4.57
Rot. Bonds7

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

(Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 58631762) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
PubChem CID58631762
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name(Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1cccc(COc2ccc(/C=C(\NC(=O)c3ccccc3F)C(=O)O)cc2)c1
InChIInChI=1S/C24H20FNO4/c1-16-5-4-6-18(13-16)15-30-19-11-9-17(10-12-19)14-22(24(28)29)26-23(27)20-7-2-3-8-21(20)25/h2-14H,15H2,1H3,(H,26,27)(H,28,29)/b22-14-
InChIKeyKAPQYOWCJBVCTN-HMAPJEAMSA-N
XLogP4.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid (CID 58631762) is (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid is Cc1cccc(COc2ccc(/C=C(\NC(=O)c3ccccc3F)C(=O)O)cc2)c1.
What is the InChIKey of (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is KAPQYOWCJBVCTN-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-16-5-4-6-18(13-16)15-30-19-11-9-17(10-12-19)14-22(24(28)29)26-23(27)20-7-2-3-8-21(20)25/h2-14H,15H2,1H3,(H,26,27)(H,28,29)/b22-14-.
What are the key properties of (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
(Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 405.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-fluorobenzoyl)amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 58631762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).