(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid

C23H18FNO4 — CID 6210016

IUPAC(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1OCc1ccccc1F)NC(=O)c1ccccc1
InChIInChI=1S/C23H18FNO4/c24-19-12-6-4-11-18(19)15-29-21-13-7-5-10-17(21)14-20(23(27)28)25-22(26)16-8-2-1-3-9-16/h1-14H,15H2,(H,25,26)(H,27,28)/b20-14+
InChIKeyWOGHCRGTTBOCMC-XSFVSMFZSA-N
MW391.40 g/mol
LogP4.26
Rot. Bonds7

About (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid

(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 6210016) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
PubChem CID6210016
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1OCc1ccccc1F)NC(=O)c1ccccc1
InChIInChI=1S/C23H18FNO4/c24-19-12-6-4-11-18(19)15-29-21-13-7-5-10-17(21)14-20(23(27)28)25-22(26)16-8-2-1-3-9-16/h1-14H,15H2,(H,25,26)(H,27,28)/b20-14+
InChIKeyWOGHCRGTTBOCMC-XSFVSMFZSA-N
XLogP4.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.26
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

2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
CID 2063688
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
(Z)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126239185
2-acetamido-3-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768172
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid (CID 6210016) is (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid is O=C(O)/C(=C\c1ccccc1OCc1ccccc1F)NC(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is WOGHCRGTTBOCMC-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H18FNO4/c24-19-12-6-4-11-18(19)15-29-21-13-7-5-10-17(21)14-20(23(27)28)25-22(26)16-8-2-1-3-9-16/h1-14H,15H2,(H,25,26)(H,27,28)/b20-14+.
What are the key properties of (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid?
(E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 391.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 6210016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).