2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide

C16H16ClIN2O — CID 107606620

IUPAC2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C16H16ClIN2O/c1-10-3-6-13(7-4-10)20-16(21)11(2)19-15-8-5-12(18)9-14(15)17/h3-9,11,19H,1-2H3,(H,20,21)
InChIKeyMGQYOWSIXQPOQO-UHFFFAOYSA-N
MW414.67 g/mol
LogP4.69
Rot. Bonds4

About 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide

2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide (PubChem CID 107606620) has the molecular formula C16H16ClIN2O and a molecular weight of 414.67 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide
PubChem CID107606620
Molecular FormulaC16H16ClIN2O
Molecular Weight414.67 g/mol
Exact Mass414.00
IUPAC Name2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C16H16ClIN2O/c1-10-3-6-13(7-4-10)20-16(21)11(2)19-15-8-5-12(18)9-14(15)17/h3-9,11,19H,1-2H3,(H,20,21)
InChIKeyMGQYOWSIXQPOQO-UHFFFAOYSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.69
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

(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide (CID 107606620) is 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Nc2ccc(I)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is MGQYOWSIXQPOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O/c1-10-3-6-13(7-4-10)20-16(21)11(2)19-15-8-5-12(18)9-14(15)17/h3-9,11,19H,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide?
2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 414.67 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 107606620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).