N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide

C10H12INO3 — CID 65312404

IUPACN-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
SMILESO=C(NC(CO)CO)c1ccccc1I
InChIInChI=1S/C10H12INO3/c11-9-4-2-1-3-8(9)10(15)12-7(5-13)6-14/h1-4,7,13-14H,5-6H2,(H,12,15)
InChIKeyKTLFYNDTNQTTJU-UHFFFAOYSA-N
MW321.11 g/mol
LogP0.37
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide

N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide (PubChem CID 65312404) has the molecular formula C10H12INO3 and a molecular weight of 321.11 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
PubChem CID65312404
Molecular FormulaC10H12INO3
Molecular Weight321.11 g/mol
Exact Mass320.99
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
SMILESO=C(NC(CO)CO)c1ccccc1I
InChIInChI=1S/C10H12INO3/c11-9-4-2-1-3-8(9)10(15)12-7(5-13)6-14/h1-4,7,13-14H,5-6H2,(H,12,15)
InChIKeyKTLFYNDTNQTTJU-UHFFFAOYSA-N
XLogP0.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
CID 114300843
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-benzhydryl-2-iodobenzamide
CID 2255693
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
2-iodo-N-(2-methylpentan-3-yl)benzamide
CID 61465043
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
CID 114316113
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide (CID 65312404) is N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide is O=C(NC(CO)CO)c1ccccc1I.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide?
The InChIKey is KTLFYNDTNQTTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3/c11-9-4-2-1-3-8(9)10(15)12-7(5-13)6-14/h1-4,7,13-14H,5-6H2,(H,12,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide?
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide has a molecular weight of 321.11 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 65312404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).