N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide

C14H11ClINO2 — CID 104629237

IUPACN-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H11ClINO2/c1-8-3-2-4-10(15)13(8)17-14(19)9-5-6-11(16)12(18)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyRRMDASIORHBJFR-UHFFFAOYSA-N
MW387.60 g/mol
LogP4.21
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide

N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104629237) has the molecular formula C14H11ClINO2 and a molecular weight of 387.60 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
PubChem CID104629237
Molecular FormulaC14H11ClINO2
Molecular Weight387.60 g/mol
Exact Mass386.95
IUPAC NameN-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H11ClINO2/c1-8-3-2-4-10(15)13(8)17-14(19)9-5-6-11(16)12(18)7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyRRMDASIORHBJFR-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319
N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2-chloro-6-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 66255531
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide (CID 104629237) is N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide is Cc1cccc(Cl)c1NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is RRMDASIORHBJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINO2/c1-8-3-2-4-10(15)13(8)17-14(19)9-5-6-11(16)12(18)7-9/h2-7,18H,1H3,(H,17,19).
What are the key properties of N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide?
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 387.60 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104629237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).