(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide

C15H11ClINO — CID 7928421

IUPAC(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1cccc(I)c1
InChIInChI=1S/C15H11ClINO/c16-12-4-1-3-11(9-12)7-8-15(19)18-14-6-2-5-13(17)10-14/h1-10H,(H,18,19)/b8-7+
InChIKeyJRQHVEWJPCGNHK-BQYQJAHWSA-N
MW383.62 g/mol
LogP4.60
Rot. Bonds3

About (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide (PubChem CID 7928421) has the molecular formula C15H11ClINO and a molecular weight of 383.62 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
PubChem CID7928421
Molecular FormulaC15H11ClINO
Molecular Weight383.62 g/mol
Exact Mass382.96
IUPAC Name(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1cccc(I)c1
InChIInChI=1S/C15H11ClINO/c16-12-4-1-3-11(9-12)7-8-15(19)18-14-6-2-5-13(17)10-14/h1-10H,(H,18,19)/b8-7+
InChIKeyJRQHVEWJPCGNHK-BQYQJAHWSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
(E)-N-[3-[(4-bromophenyl)sulfamoyl]phenyl]-3-(3-chlorophenyl)prop-2-enamide
CID 6179194
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-4-(3-iodoanilino)-4-oxobut-2-enoic acid
CID 754037

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide (CID 7928421) is (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)Nc1cccc(I)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide?
The InChIKey is JRQHVEWJPCGNHK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11ClINO/c16-12-4-1-3-11(9-12)7-8-15(19)18-14-6-2-5-13(17)10-14/h1-10H,(H,18,19)/b8-7+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide has a molecular weight of 383.62 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide is sourced from PubChem (CID 7928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).