7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide

C17H22ClN3O — CID 166475980

IUPAC7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2cc3cccc(Cl)c3[nH]2)C1
InChIInChI=1S/C17H22ClN3O/c1-11(2)21-8-7-13(10-21)20(3)17(22)15-9-12-5-4-6-14(18)16(12)19-15/h4-6,9,11,13,19H,7-8,10H2,1-3H3
InChIKeyHNFWRTXGOFZEGN-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.38
Rot. Bonds3

About 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide

7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide (PubChem CID 166475980) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
PubChem CID166475980
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2cc3cccc(Cl)c3[nH]2)C1
InChIInChI=1S/C17H22ClN3O/c1-11(2)21-8-7-13(10-21)20(3)17(22)15-9-12-5-4-6-14(18)16(12)19-15/h4-6,9,11,13,19H,7-8,10H2,1-3H3
InChIKeyHNFWRTXGOFZEGN-UHFFFAOYSA-N
XLogP3.38
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852912
N-carbamimidoyl-7-chloro-N-methyl-1H-indole-2-carboxamide
CID 54494173
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide
CID 166476068
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-methyl-N-pyridin-2-yl-1H-indole-2-carboxamide
CID 166475967
4-indazol-1-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 25121652
4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 68739853
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-chloro-1H-indole-2-carboxamide
CID 108804038
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64523858
7-chloro-1H-indole-2-carbohydrazide
CID 13466352

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide (CID 166475980) is 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide is CC(C)N1CCC(N(C)C(=O)c2cc3cccc(Cl)c3[nH]2)C1.
What is the InChIKey of 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is HNFWRTXGOFZEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-11(2)21-8-7-13(10-21)20(3)17(22)15-9-12-5-4-6-14(18)16(12)19-15/h4-6,9,11,13,19H,7-8,10H2,1-3H3.
What are the key properties of 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 319.84 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 166475980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).