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

C22H16ClNO3 — CID 6480703

IUPAC(Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(-c2ccccc2Cl)c1)NC(=O)c1ccccc1
InChIInChI=1S/C22H16ClNO3/c23-19-12-5-4-11-18(19)17-10-6-7-15(13-17)14-20(22(26)27)24-21(25)16-8-2-1-3-9-16/h1-14H,(H,24,25)(H,26,27)/b20-14-
InChIKeyJCUAPQIFJIGAJF-ZHZULCJRSA-N
MW377.83 g/mol
LogP4.86
Rot. Bonds5

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

(Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid (PubChem CID 6480703) has the molecular formula C22H16ClNO3 and a molecular weight of 377.83 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid
PubChem CID6480703
Molecular FormulaC22H16ClNO3
Molecular Weight377.83 g/mol
Exact Mass377.08
IUPAC Name(Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(-c2ccccc2Cl)c1)NC(=O)c1ccccc1
InChIInChI=1S/C22H16ClNO3/c23-19-12-5-4-11-18(19)17-10-6-7-15(13-17)14-20(22(26)27)24-21(25)16-8-2-1-3-9-16/h1-14H,(H,24,25)(H,26,27)/b20-14-
InChIKeyJCUAPQIFJIGAJF-ZHZULCJRSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid (CID 6480703) is (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid is O=C(O)/C(=C/c1cccc(-c2ccccc2Cl)c1)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid?
The InChIKey is JCUAPQIFJIGAJF-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H16ClNO3/c23-19-12-5-4-11-18(19)17-10-6-7-15(13-17)14-20(22(26)27)24-21(25)16-8-2-1-3-9-16/h1-14H,(H,24,25)(H,26,27)/b20-14-.
What are the key properties of (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid?
(Z)-2-benzamido-3-[3-(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 (Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 6480703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).