N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide

C13H15ClINO2 — CID 114258881

IUPACN-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C13H15ClINO2/c1-2-12-9(5-6-18-12)13(17)16-11-7-8(15)3-4-10(11)14/h3-4,7,9,12H,2,5-6H2,1H3,(H,16,17)
InChIKeyVLJPOQAUSZFSMC-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.70
Rot. Bonds3

About N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide

N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide (PubChem CID 114258881) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide
PubChem CID114258881
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC NameN-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C13H15ClINO2/c1-2-12-9(5-6-18-12)13(17)16-11-7-8(15)3-4-10(11)14/h3-4,7,9,12H,2,5-6H2,1H3,(H,16,17)
InChIKeyVLJPOQAUSZFSMC-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.70
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-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide
CID 114105745
2-ethyl-N-(3-hydroxy-4-methylphenyl)oxolane-3-carboxamide
CID 114104202
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996
N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393
2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide
CID 114104398
1-(2-chloro-5-iodophenyl)-3-(oxepan-4-yl)urea
CID 136520804
3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 114105241
(2S,3S)-N-(2-cyano-4-ethylphenyl)-2-ethyloxane-3-carboxamide
CID 125419464
N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
CID 114105635
(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
CID 129479503
N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114259790
N-(2-chloro-5-iodophenyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114258882

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide (CID 114258881) is N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)Nc1cc(I)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide?
The InChIKey is VLJPOQAUSZFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c1-2-12-9(5-6-18-12)13(17)16-11-7-8(15)3-4-10(11)14/h3-4,7,9,12H,2,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide?
N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide has a molecular weight of 379.63 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114258881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).