N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide

C11H14INO2 — CID 115765134

IUPACN-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c1-8(7-14)13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyULRBRXWFDLRKII-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.74
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide

N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide (PubChem CID 115765134) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
PubChem CID115765134
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC NameN-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c1-8(7-14)13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyULRBRXWFDLRKII-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
(E)-3-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 104553923
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
N-(1-hydroxypropan-2-yl)-N-methyl-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 104553459
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide (CID 115765134) is N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide is CC(CO)N(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide?
The InChIKey is ULRBRXWFDLRKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-8(7-14)13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide?
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide has a molecular weight of 319.14 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 115765134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).