(Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid

C22H15ClINO4 — CID 58631640

IUPAC(Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClINO4/c23-16-5-3-4-15(13-16)21(26)25-19(22(27)28)12-14-8-10-17(11-9-14)29-20-7-2-1-6-18(20)24/h1-13H,(H,25,26)(H,27,28)/b19-12-
InChIKeySYJGEGSKEJWBPN-UNOMPAQXSA-N
MW519.72 g/mol
LogP5.59
Rot. Bonds6

About (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid

(Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid (PubChem CID 58631640) has the molecular formula C22H15ClINO4 and a molecular weight of 519.72 g/mol. Its IUPAC name is (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
PubChem CID58631640
Molecular FormulaC22H15ClINO4
Molecular Weight519.72 g/mol
Exact Mass518.97
IUPAC Name(Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClINO4/c23-16-5-3-4-15(13-16)21(26)25-19(22(27)28)12-14-8-10-17(11-9-14)29-20-7-2-1-6-18(20)24/h1-13H,(H,25,26)(H,27,28)/b19-12-
InChIKeySYJGEGSKEJWBPN-UNOMPAQXSA-N
XLogP5.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.72
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-[(4-fluorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
CID 22148060
(E)-3-[4-(2-iodophenoxy)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoic acid
CID 22148336
(Z)-2-[(3-fluoro-4-methylbenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
CID 58631783
(E)-3-[4-(2-iodophenoxy)phenyl]-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
CID 22148545
(E)-2-benzamido-3-[4-(2,5-difluorophenoxy)phenyl]prop-2-enoic acid
CID 22148069
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
(E)-2-benzamido-3-[4-(2-chloro-5-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148439
(E)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-chlorobenzoyl)amino]prop-2-enoic acid
CID 22148447
2-benzamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768878
(E)-2-benzamido-3-[4-[(3-iodophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6210666
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
(E)-2-[(3-fluorobenzoyl)amino]-3-[3-fluoro-4-(2-fluorophenoxy)phenyl]prop-2-enoic acid
CID 22148340

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid (CID 58631640) is (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid is O=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
The InChIKey is SYJGEGSKEJWBPN-UNOMPAQXSA-N. The full InChI is InChI=1S/C22H15ClINO4/c23-16-5-3-4-15(13-16)21(26)25-19(22(27)28)12-14-8-10-17(11-9-14)29-20-7-2-1-6-18(20)24/h1-13H,(H,25,26)(H,27,28)/b19-12-.
What are the key properties of (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
(Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid has a molecular weight of 519.72 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3-chlorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 58631640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).