4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide

C16H18Cl2N2O2 — CID 145367489

IUPAC4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide
SMILESCCC1(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)CCOC1
InChIInChI=1S/C16H18Cl2N2O2/c1-3-16(6-7-22-9-16)19-15(21)13-8-10-12(20(13)2)5-4-11(17)14(10)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21)
InChIKeyQCLGKFLJBIHROV-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.78
Rot. Bonds3

About 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide

4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide (PubChem CID 145367489) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide
PubChem CID145367489
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide
SMILESCCC1(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)CCOC1
InChIInChI=1S/C16H18Cl2N2O2/c1-3-16(6-7-22-9-16)19-15(21)13-8-10-12(20(13)2)5-4-11(17)14(10)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21)
InChIKeyQCLGKFLJBIHROV-UHFFFAOYSA-N
XLogP3.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]pentanoic acid
CID 130418225
4,5-dichloro-N-[4-[4-(2-hydroxyacetyl)phenyl]oxan-4-yl]-1-methylindole-2-carboxamide
CID 170328674
4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide
CID 130418037
ethyl 2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]-4-methoxybutanoate
CID 177063809
2-cyclopropyl-4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]benzoic acid
CID 130417915
2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid
CID 130418235
4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide
CID 130407884
4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide
CID 130418194
2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]propanoic acid
CID 130418134
2-[4-[3-[(4-chloro-5-iodo-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]pentanoic acid
CID 166762122
2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]-3-fluorophenyl]-2-methylpropanoic acid
CID 130418122
N-[4-(2-amino-2-oxoethyl)-1-(pyrazin-2-ylamino)sulfanylpiperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 145367609

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide (CID 145367489) is 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide is CCC1(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)CCOC1.
What is the InChIKey of 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide?
The InChIKey is QCLGKFLJBIHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-3-16(6-7-22-9-16)19-15(21)13-8-10-12(20(13)2)5-4-11(17)14(10)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21).
What are the key properties of 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide?
4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 145367489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).