5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide

C16H15ClINO2 — CID 10645534

IUPAC5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(I)cc1
InChIInChI=1S/C16H15ClINO2/c1-21-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(18)6-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyFJLIRSTZBUBHTQ-UHFFFAOYSA-N
MW415.66 g/mol
LogP3.93
Rot. Bonds5

About 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide (PubChem CID 10645534) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
PubChem CID10645534
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(I)cc1
InChIInChI=1S/C16H15ClINO2/c1-21-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(18)6-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyFJLIRSTZBUBHTQ-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 53.93
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

5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
CID 25269110
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide (CID 10645534) is 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(I)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide?
The InChIKey is FJLIRSTZBUBHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-21-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(18)6-3-11/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide has a molecular weight of 415.66 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 10645534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).