(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid

C22H16ClNO3 — CID 22148158

IUPAC(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H16ClNO3/c23-19-9-5-4-8-18(19)16-12-10-15(11-13-16)14-20(22(26)27)24-21(25)17-6-2-1-3-7-17/h1-14H,(H,24,25)(H,26,27)/b20-14+
InChIKeyXIEYHIKGDIOFHO-XSFVSMFZSA-N
MW377.83 g/mol
LogP4.86
Rot. Bonds5

About (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid

(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid (PubChem CID 22148158) has the molecular formula C22H16ClNO3 and a molecular weight of 377.83 g/mol. Its IUPAC name is (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid
PubChem CID22148158
Molecular FormulaC22H16ClNO3
Molecular Weight377.83 g/mol
Exact Mass377.08
IUPAC Name(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H16ClNO3/c23-19-9-5-4-8-18(19)16-12-10-15(11-13-16)14-20(22(26)27)24-21(25)17-6-2-1-3-7-17/h1-14H,(H,24,25)(H,26,27)/b20-14+
InChIKeyXIEYHIKGDIOFHO-XSFVSMFZSA-N
XLogP4.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-benzamido-3-(4-boronophenyl)prop-2-enoic acid
CID 10913942
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
2-benzamido-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768923
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
(E)-2-benzamido-3-[6-(2-chlorophenyl)-2-pyridinyl]prop-2-enoic acid
CID 22148102
(E)-2-benzamido-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 22148491
(E)-2-benzamido-3-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enoic acid
CID 22148264
N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide
CID 142847270
(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid
CID 58631482
(E)-2-benzamidobut-2-enoic acid
CID 15472529

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid (CID 22148158) is (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid is O=C(O)/C(=C\c1ccc(-c2ccccc2Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid?
The InChIKey is XIEYHIKGDIOFHO-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H16ClNO3/c23-19-9-5-4-8-18(19)16-12-10-15(11-13-16)14-20(22(26)27)24-21(25)17-6-2-1-3-7-17/h1-14H,(H,24,25)(H,26,27)/b20-14+.
What are the key properties of (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid?
(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid has a molecular weight of 377.83 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 22148158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).