4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide

C13H15Cl2N3O — CID 150834456

IUPAC4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide
SMILESCCN(CC)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C13H15Cl2N3O/c1-3-18(4-2)17-13(19)12-7-9-10(15)5-8(14)6-11(9)16-12/h5-7,16H,3-4H2,1-2H3,(H,17,19)
InChIKeyKMRHUEWTMYPUGO-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.46
Rot. Bonds4

About 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide

4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide (PubChem CID 150834456) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide
PubChem CID150834456
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide
SMILESCCN(CC)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C13H15Cl2N3O/c1-3-18(4-2)17-13(19)12-7-9-10(15)5-8(14)6-11(9)16-12/h5-7,16H,3-4H2,1-2H3,(H,17,19)
InChIKeyKMRHUEWTMYPUGO-UHFFFAOYSA-N
XLogP3.46
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide
CID 23003586
4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44555588
4,6-dichloro-2-ethyl-1H-indole
CID 20828571
4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
CID 155545377
(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid
CID 10639537
4,6-dichloro-N-[3-(quinolin-2-ylamino)propyl]-1H-indole-2-carboxamide
CID 44534616
4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide
CID 155963978
4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide
CID 167962010
1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone
CID 53326252
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
CID 122650225
4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 167244126
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide?
The IUPAC name of 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide (CID 150834456) is 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide is CCN(CC)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide?
The InChIKey is KMRHUEWTMYPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-3-18(4-2)17-13(19)12-7-9-10(15)5-8(14)6-11(9)16-12/h5-7,16H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide?
4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide has a molecular weight of 300.19 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 150834456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).