N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide

C12H14INO2 — CID 104627771

IUPACN-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c1-14(7-8-2-3-8)12(16)9-4-5-10(13)11(15)6-9/h4-6,8,15H,2-3,7H2,1H3
InChIKeyZOONAFCSEZBHLO-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.48
Rot. Bonds3

About N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide

N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide (PubChem CID 104627771) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
PubChem CID104627771
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC NameN-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c1-14(7-8-2-3-8)12(16)9-4-5-10(13)11(15)6-9/h4-6,8,15H,2-3,7H2,1H3
InChIKeyZOONAFCSEZBHLO-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.48
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

3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
ethyl 2-[(3-hydroxy-4-iodobenzoyl)-methylamino]acetate
CID 113434712
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide (CID 104627771) is N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide is CN(CC1CC1)C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide?
The InChIKey is ZOONAFCSEZBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-14(7-8-2-3-8)12(16)9-4-5-10(13)11(15)6-9/h4-6,8,15H,2-3,7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide?
N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide has a molecular weight of 331.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide is sourced from PubChem (CID 104627771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).