3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide

C16H15ClINO2 — CID 103867275

IUPAC3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-10(12-5-3-4-6-15(12)20)19(2)16(21)11-7-8-14(18)13(17)9-11/h3-10,20H,1-2H3
InChIKeyDGZJKQBMXXYPIB-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.48
Rot. Bonds3

About 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide

3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide (PubChem CID 103867275) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
PubChem CID103867275
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-10(12-5-3-4-6-15(12)20)19(2)16(21)11-7-8-14(18)13(17)9-11/h3-10,20H,1-2H3
InChIKeyDGZJKQBMXXYPIB-UHFFFAOYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
3-cyano-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043345
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide (CID 103867275) is 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide is CC(c1ccccc1O)N(C)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide?
The InChIKey is DGZJKQBMXXYPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-10(12-5-3-4-6-15(12)20)19(2)16(21)11-7-8-14(18)13(17)9-11/h3-10,20H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide?
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide has a molecular weight of 415.66 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide is sourced from PubChem (CID 103867275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).