4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide

C12H15ClINO2 — CID 107322316

IUPAC4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
SMILESO=C(NCCCCCI)c1ccc(Cl)cc1O
InChIInChI=1S/C12H15ClINO2/c13-9-4-5-10(11(16)8-9)12(17)15-7-3-1-2-6-14/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyRLRHGTNXCFGHGE-UHFFFAOYSA-N
MW367.61 g/mol
LogP3.38
Rot. Bonds6

About 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide

4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide (PubChem CID 107322316) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
PubChem CID107322316
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC Name4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
SMILESO=C(NCCCCCI)c1ccc(Cl)cc1O
InChIInChI=1S/C12H15ClINO2/c13-9-4-5-10(11(16)8-9)12(17)15-7-3-1-2-6-14/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyRLRHGTNXCFGHGE-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
2,4-dihydroxy-N-(3-iodopropyl)benzamide
CID 107726207
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide (CID 107322316) is 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide is O=C(NCCCCCI)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide?
The InChIKey is RLRHGTNXCFGHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO2/c13-9-4-5-10(11(16)8-9)12(17)15-7-3-1-2-6-14/h4-5,8,16H,1-3,6-7H2,(H,15,17).
What are the key properties of 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide?
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide has a molecular weight of 367.61 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide is sourced from PubChem (CID 107322316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).