3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide

C13H15ClINO2 — CID 113415088

IUPAC3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESO=C(NCCC1CCOC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO2/c14-11-7-10(1-2-12(11)15)13(17)16-5-3-9-4-6-18-8-9/h1-2,7,9H,3-6,8H2,(H,16,17)
InChIKeyDBYDECRZHGXIEF-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.10
Rot. Bonds4

About 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide

3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113415088) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID113415088
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESO=C(NCCC1CCOC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO2/c14-11-7-10(1-2-12(11)15)13(17)16-5-3-9-4-6-18-8-9/h1-2,7,9H,3-6,8H2,(H,16,17)
InChIKeyDBYDECRZHGXIEF-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.10
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-N-(2-cyclohexylethyl)-4-iodobenzamide
CID 103221269
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 113415088) is 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide is O=C(NCCC1CCOC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is DBYDECRZHGXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c14-11-7-10(1-2-12(11)15)13(17)16-5-3-9-4-6-18-8-9/h1-2,7,9H,3-6,8H2,(H,16,17).
What are the key properties of 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide?
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 379.63 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113415088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).