(E)-3-(4-iodophenyl)-N-methylprop-2-enamide

C10H10INO — CID 147337787

IUPAC(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(I)cc1
InChIInChI=1S/C10H10INO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyDCWSINJQYRCVSW-QPJJXVBHSA-N
MW287.10 g/mol
LogP2.05
Rot. Bonds2

About (E)-3-(4-iodophenyl)-N-methylprop-2-enamide

(E)-3-(4-iodophenyl)-N-methylprop-2-enamide (PubChem CID 147337787) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is (E)-3-(4-iodophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
PubChem CID147337787
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(I)cc1
InChIInChI=1S/C10H10INO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyDCWSINJQYRCVSW-QPJJXVBHSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.05
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'}

Analyze (E)-3-(4-iodophenyl)-N-methylprop-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

3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
CID 164990335
(E)-N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527941
N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527944
(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 14989749
methyl (E)-3-[4-[2-[4-[(E)-3-(methylamino)-3-oxoprop-1-enyl]phenyl]-2-oxoacetyl]phenyl]prop-2-enoate
CID 21334858
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
CID 39239019
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-iodophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-iodophenyl)-N-methylprop-2-enamide (CID 147337787) is (E)-3-(4-iodophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-iodophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-iodophenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc(I)cc1.
What is the InChIKey of (E)-3-(4-iodophenyl)-N-methylprop-2-enamide?
The InChIKey is DCWSINJQYRCVSW-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H10INO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+.
What are the key properties of (E)-3-(4-iodophenyl)-N-methylprop-2-enamide?
(E)-3-(4-iodophenyl)-N-methylprop-2-enamide has a molecular weight of 287.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-iodophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 147337787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).