2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide

C17H17ClINO2 — CID 1257164

IUPAC2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(I)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClINO2/c1-11-10-13(19)6-9-15(11)20-16(21)17(2,3)22-14-7-4-12(18)5-8-14/h4-10H,1-3H3,(H,20,21)
InChIKeyYEKJHUVNVSSSHP-UHFFFAOYSA-N
MW429.69 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide (PubChem CID 1257164) has the molecular formula C17H17ClINO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
PubChem CID1257164
Molecular FormulaC17H17ClINO2
Molecular Weight429.69 g/mol
Exact Mass429.00
IUPAC Name2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(I)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClINO2/c1-11-10-13(19)6-9-15(11)20-16(21)17(2,3)22-14-7-4-12(18)5-8-14/h4-10H,1-3H3,(H,20,21)
InChIKeyYEKJHUVNVSSSHP-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 888330
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 100828381
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
CID 154646082
N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 50878617
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 28677113

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide (CID 1257164) is 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide is Cc1cc(I)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide?
The InChIKey is YEKJHUVNVSSSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO2/c1-11-10-13(19)6-9-15(11)20-16(21)17(2,3)22-14-7-4-12(18)5-8-14/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide has a molecular weight of 429.69 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 1257164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).