N-(4-iodo-2-methylphenyl)prop-2-enamide

C10H10INO — CID 43425771

IUPACN-(4-iodo-2-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C10H10INO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h3-6H,1H2,2H3,(H,12,13)
InChIKeyQEUMYWUGUALKBO-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.72
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)prop-2-enamide

N-(4-iodo-2-methylphenyl)prop-2-enamide (PubChem CID 43425771) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)prop-2-enamide
PubChem CID43425771
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC NameN-(4-iodo-2-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C10H10INO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h3-6H,1H2,2H3,(H,12,13)
InChIKeyQEUMYWUGUALKBO-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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

N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)prop-2-enamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)prop-2-enamide (CID 43425771) is N-(4-iodo-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)prop-2-enamide?
The InChIKey is QEUMYWUGUALKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h3-6H,1H2,2H3,(H,12,13).
What are the key properties of N-(4-iodo-2-methylphenyl)prop-2-enamide?
N-(4-iodo-2-methylphenyl)prop-2-enamide has a molecular weight of 287.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 43425771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).