N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide

C14H20INO2 — CID 103676431

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H20INO2/c1-14(2,3)8-12(17)9-16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyQPRPCLAKKFDBCQ-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.82
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide

N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide (PubChem CID 103676431) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
PubChem CID103676431
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H20INO2/c1-14(2,3)8-12(17)9-16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyQPRPCLAKKFDBCQ-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.82
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

3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 107150564
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
CID 66167865
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
CID 113237911
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
3-[(4-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368177
3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 113237947
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide (CID 103676431) is N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide is CC(C)(C)CC(O)CNC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide?
The InChIKey is QPRPCLAKKFDBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-14(2,3)8-12(17)9-16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide?
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide has a molecular weight of 361.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide is sourced from PubChem (CID 103676431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).