N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide

C13H15IN2O4 — CID 60978079

IUPACN-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
SMILESO=C(NC1CCCC(O)C1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H15IN2O4/c14-12-5-4-9(16(19)20)7-11(12)13(18)15-8-2-1-3-10(17)6-8/h4-5,7-8,10,17H,1-3,6H2,(H,15,18)
InChIKeySMUKJBQHKMPWAJ-UHFFFAOYSA-N
MW390.18 g/mol
LogP2.23
Rot. Bonds3

About N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide

N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide (PubChem CID 60978079) has the molecular formula C13H15IN2O4 and a molecular weight of 390.18 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
PubChem CID60978079
Molecular FormulaC13H15IN2O4
Molecular Weight390.18 g/mol
Exact Mass390.01
IUPAC NameN-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
SMILESO=C(NC1CCCC(O)C1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H15IN2O4/c14-12-5-4-9(16(19)20)7-11(12)13(18)15-8-2-1-3-10(17)6-8/h4-5,7-8,10,17H,1-3,6H2,(H,15,18)
InChIKeySMUKJBQHKMPWAJ-UHFFFAOYSA-N
XLogP2.23
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
2-iodo-5-nitro-N-(oxan-3-yl)benzamide
CID 63363525
2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
CID 113225219
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
2-chloro-N-(3-hydroxycyclohexyl)-3-nitrobenzamide
CID 115930998
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide (CID 60978079) is N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide is O=C(NC1CCCC(O)C1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide?
The InChIKey is SMUKJBQHKMPWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O4/c14-12-5-4-9(16(19)20)7-11(12)13(18)15-8-2-1-3-10(17)6-8/h4-5,7-8,10,17H,1-3,6H2,(H,15,18).
What are the key properties of N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide?
N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide has a molecular weight of 390.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 60978079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).