2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide

C17H18INO2 — CID 103600369

IUPAC2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C17H18INO2/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)15-11-14(18)9-10-16(15)20/h2-6,9-12,20H,7-8H2,1H3,(H,19,21)
InChIKeyKQNXLWOMWFTCNV-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.75
Rot. Bonds5

About 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide

2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 103600369) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
PubChem CID103600369
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C17H18INO2/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)15-11-14(18)9-10-16(15)20/h2-6,9-12,20H,7-8H2,1H3,(H,19,21)
InChIKeyKQNXLWOMWFTCNV-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.75
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

2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide (CID 103600369) is 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is KQNXLWOMWFTCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)15-11-14(18)9-10-16(15)20/h2-6,9-12,20H,7-8H2,1H3,(H,19,21).
What are the key properties of 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide?
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 395.24 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 103600369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).