5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide

C16H21ClN2O3 — CID 110498960

IUPAC5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)N(CCO)CCO)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C16H21ClN2O3/c1-3-19-14-5-4-12(17)10-13(14)11(2)15(19)16(22)18(6-8-20)7-9-21/h4-5,10,20-21H,3,6-9H2,1-2H3
InChIKeyIRZZJDARRXZIKL-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.05
Rot. Bonds6

About 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide

5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide (PubChem CID 110498960) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide
PubChem CID110498960
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)N(CCO)CCO)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C16H21ClN2O3/c1-3-19-14-5-4-12(17)10-13(14)11(2)15(19)16(22)18(6-8-20)7-9-21/h4-5,10,20-21H,3,6-9H2,1-2H3
InChIKeyIRZZJDARRXZIKL-UHFFFAOYSA-N
XLogP2.05
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
N,N-bis(2-hydroxyethyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498884
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide (CID 110498960) is 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide is CCn1c(C(=O)N(CCO)CCO)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide?
The InChIKey is IRZZJDARRXZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-19-14-5-4-12(17)10-13(14)11(2)15(19)16(22)18(6-8-20)7-9-21/h4-5,10,20-21H,3,6-9H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide?
5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110498960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).