4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide

C25H24Cl2N2O3 — CID 130407884

IUPAC4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2(c3ccc(C(C=O)C4CC4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C25H24Cl2N2O3/c1-29-21-9-8-20(26)23(27)18(21)12-22(29)24(31)28-25(10-11-32-14-25)17-6-4-16(5-7-17)19(13-30)15-2-3-15/h4-9,12-13,15,19H,2-3,10-11,14H2,1H3,(H,28,31)
InChIKeyWMERZTUFDUSEDL-UHFFFAOYSA-N
MW471.38 g/mol
LogP5.22
Rot. Bonds6

About 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide

4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide (PubChem CID 130407884) has the molecular formula C25H24Cl2N2O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide
PubChem CID130407884
Molecular FormulaC25H24Cl2N2O3
Molecular Weight471.38 g/mol
Exact Mass470.12
IUPAC Name4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2(c3ccc(C(C=O)C4CC4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C25H24Cl2N2O3/c1-29-21-9-8-20(26)23(27)18(21)12-22(29)24(31)28-25(10-11-32-14-25)17-6-4-16(5-7-17)19(13-30)15-2-3-15/h4-9,12-13,15,19H,2-3,10-11,14H2,1H3,(H,28,31)
InChIKeyWMERZTUFDUSEDL-UHFFFAOYSA-N
XLogP5.22
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid
CID 130418235
2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]pentanoic acid
CID 130418225
4,5-dichloro-1-methyl-N-[3-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]oxolan-3-yl]indole-2-carboxamide
CID 130418194
2-cyclopropyl-4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]benzoic acid
CID 130417915
2-cyclobutyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]acetic acid
CID 130418464
ethyl 2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]-4-methoxybutanoate
CID 177063809
2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]propanoic acid
CID 130418134
4,5-dichloro-1-methyl-N-[3-[4-(2H-tetrazol-5-ylmethyl)phenyl]oxolan-3-yl]indole-2-carboxamide
CID 130418037
5-chloro-N-[3-[4-(1-cyclopropyl-3-oxopropan-2-yl)phenyl]oxetan-3-yl]-4-hydroxy-1-methylindole-2-carboxamide
CID 145367469
4,5-dichloro-N-[4-[4-(2-hydroxyacetyl)phenyl]oxan-4-yl]-1-methylindole-2-carboxamide
CID 170328674
2-[4-[3-[(4-chloro-5-iodo-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]pentanoic acid
CID 166762122
4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide
CID 145367489

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide (CID 130407884) is 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide is Cn1c(C(=O)NC2(c3ccc(C(C=O)C4CC4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide?
The InChIKey is WMERZTUFDUSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3/c1-29-21-9-8-20(26)23(27)18(21)12-22(29)24(31)28-25(10-11-32-14-25)17-6-4-16(5-7-17)19(13-30)15-2-3-15/h4-9,12-13,15,19H,2-3,10-11,14H2,1H3,(H,28,31).
What are the key properties of 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide?
4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide has a molecular weight of 471.38 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[3-[4-(1-cyclopropyl-2-oxoethyl)phenyl]oxolan-3-yl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 130407884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).