N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide

C15H20INO2 — CID 104627610

IUPACN-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(I)c(O)c1)C1CC1
InChIInChI=1S/C15H20INO2/c1-10(2)7-8-17(12-4-5-12)15(19)11-3-6-13(16)14(18)9-11/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3
InChIKeyMXOGXEQZVRHNME-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.65
Rot. Bonds5

About N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide

N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide (PubChem CID 104627610) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
PubChem CID104627610
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC NameN-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(I)c(O)c1)C1CC1
InChIInChI=1S/C15H20INO2/c1-10(2)7-8-17(12-4-5-12)15(19)11-3-6-13(16)14(18)9-11/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3
InChIKeyMXOGXEQZVRHNME-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.65
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-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
CID 107075660
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 113434719
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide (CID 104627610) is N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1ccc(I)c(O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide?
The InChIKey is MXOGXEQZVRHNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-10(2)7-8-17(12-4-5-12)15(19)11-3-6-13(16)14(18)9-11/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide?
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide has a molecular weight of 373.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 104627610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).