2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide

C15H13ClINO2 — CID 1343394

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(I)c2)ccc1Cl
InChIInChI=1S/C15H13ClINO2/c1-10-7-13(5-6-14(10)16)20-9-15(19)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPKPSPBOMSOPWFT-UHFFFAOYSA-N
MW401.63 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide (PubChem CID 1343394) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
PubChem CID1343394
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(I)c2)ccc1Cl
InChIInChI=1S/C15H13ClINO2/c1-10-7-13(5-6-14(10)16)20-9-15(19)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPKPSPBOMSOPWFT-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.27
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)-N-(3-iodophenyl)acetamide
CID 7738324
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
CID 4922809
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158805
3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 43912106
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide (CID 1343394) is 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide is Cc1cc(OCC(=O)Nc2cccc(I)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide?
The InChIKey is PKPSPBOMSOPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-10-7-13(5-6-14(10)16)20-9-15(19)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide has a molecular weight of 401.63 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 1343394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).