N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide

C19H23IN2O2 — CID 90975910

IUPACN-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)cc1C.CC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C10H13NO.C9H10INO/c1-7-4-5-10(8(2)6-7)11-9(3)12;1-6-5-8(10)3-4-9(6)11-7(2)12/h4-6H,1-3H3,(H,11,12);3-5H,1-2H3,(H,11,12)
InChIKeyOLFMQLQNZWVFIP-UHFFFAOYSA-N
MW438.31 g/mol
LogP4.82
Rot. Bonds2

About N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide

N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 90975910) has the molecular formula C19H23IN2O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
PubChem CID90975910
Molecular FormulaC19H23IN2O2
Molecular Weight438.31 g/mol
Exact Mass438.08
IUPAC NameN-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)cc1C.CC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C10H13NO.C9H10INO/c1-7-4-5-10(8(2)6-7)11-9(3)12;1-6-5-8(10)3-4-9(6)11-7(2)12/h4-6H,1-3H3,(H,11,12);3-5H,1-2H3,(H,11,12)
InChIKeyOLFMQLQNZWVFIP-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 43425771
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95076832

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide (CID 90975910) is N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide is CC(=O)Nc1ccc(C)cc1C.CC(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is OLFMQLQNZWVFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C9H10INO/c1-7-4-5-10(8(2)6-7)11-9(3)12;1-6-5-8(10)3-4-9(6)11-7(2)12/h4-6H,1-3H3,(H,11,12);3-5H,1-2H3,(H,11,12).
What are the key properties of N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide?
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 438.31 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 90975910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).