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

C16H15ClINO2 — CID 53265997

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(I)cc2)ccc1Cl
InChIInChI=1S/C16H15ClINO2/c1-10-9-14(7-8-15(10)17)21-11(2)16(20)19-13-5-3-12(18)4-6-13/h3-9,11H,1-2H3,(H,19,20)
InChIKeyDGBMPYBNHNKXNJ-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.66
Rot. Bonds4

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

2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide (PubChem CID 53265997) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
PubChem CID53265997
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(I)cc2)ccc1Cl
InChIInChI=1S/C16H15ClINO2/c1-10-9-14(7-8-15(10)17)21-11(2)16(20)19-13-5-3-12(18)4-6-13/h3-9,11H,1-2H3,(H,19,20)
InChIKeyDGBMPYBNHNKXNJ-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.66
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-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzoate
CID 53265937
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide (CID 53265997) is 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(I)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide?
The InChIKey is DGBMPYBNHNKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-10-9-14(7-8-15(10)17)21-11(2)16(20)19-13-5-3-12(18)4-6-13/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide has a molecular weight of 415.66 g/mol, XLogP of 4.66, 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-(4-iodophenyl)propanamide is sourced from PubChem (CID 53265997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).