(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide

C15H12ClIN2O — CID 115343128

IUPAC(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C15H12ClIN2O/c16-13-9-11(17)4-7-14(13)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-9H,18H2,(H,19,20)/b8-3+
InChIKeyJIJZDGAIWZTZKI-FPYGCLRLSA-N
MW398.63 g/mol
LogP4.18
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide (PubChem CID 115343128) has the molecular formula C15H12ClIN2O and a molecular weight of 398.63 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide
PubChem CID115343128
Molecular FormulaC15H12ClIN2O
Molecular Weight398.63 g/mol
Exact Mass397.97
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C15H12ClIN2O/c16-13-9-11(17)4-7-14(13)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-9H,18H2,(H,19,20)/b8-3+
InChIKeyJIJZDGAIWZTZKI-FPYGCLRLSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide 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

N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 158403590
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 39371944
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 102695194
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide (CID 115343128) is (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide?
The InChIKey is JIJZDGAIWZTZKI-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H12ClIN2O/c16-13-9-11(17)4-7-14(13)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-9H,18H2,(H,19,20)/b8-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide has a molecular weight of 398.63 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide is sourced from PubChem (CID 115343128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).