(Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid

C22H17NO4 — CID 6480713

IUPAC(Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(17-7-3-1-4-8-17)23-20(22(25)26)15-16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H,23,24)(H,25,26)/b20-15-
InChIKeyDJXASTXHZDJTTD-HKWRFOASSA-N
MW359.38 g/mol
LogP4.33
Rot. Bonds6

About (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid

(Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid (PubChem CID 6480713) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
PubChem CID6480713
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name(Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(17-7-3-1-4-8-17)23-20(22(25)26)15-16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H,23,24)(H,25,26)/b20-15-
InChIKeyDJXASTXHZDJTTD-HKWRFOASSA-N
XLogP4.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.33
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
3-Benzamidocoumarin
CID 252608
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-hydroxybenzoyl)amino]prop-2-enoic acid
CID 5279449
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(3-fluorobenzoyl)amino]prop-2-enoic acid
CID 5279450
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid
CID 5279451
(Z)-2-[(4-bromobenzoyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
CID 5279452
(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
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[[2-(4-bromophenyl)acetyl]amino]prop-2-enoic acid
CID 5279457
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[[2-(4-iodophenyl)acetyl]amino]prop-2-enoic acid
CID 5279459

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid (CID 6480713) is (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid is O=C(O)/C(=C/c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is DJXASTXHZDJTTD-HKWRFOASSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(17-7-3-1-4-8-17)23-20(22(25)26)15-16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H,23,24)(H,25,26)/b20-15-.
What are the key properties of (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
(Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid has a molecular weight of 359.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 6480713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).