5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide

C12H13ClINO2 — CID 47187984

IUPAC5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H13ClINO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyZBTWWQBOMFGGJT-UHFFFAOYSA-N
MW365.60 g/mol
LogP2.85
Rot. Bonds3

About 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide

5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 47187984) has the molecular formula C12H13ClINO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
PubChem CID47187984
Molecular FormulaC12H13ClINO2
Molecular Weight365.60 g/mol
Exact Mass364.97
IUPAC Name5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H13ClINO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyZBTWWQBOMFGGJT-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.60
LogP ≤ 52.85
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

5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 31883572
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide (CID 47187984) is 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is ZBTWWQBOMFGGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClINO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16).
What are the key properties of 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide?
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 365.60 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 47187984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).