5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide

C19H18ClN3O — CID 113205913

IUPAC5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18ClN3O/c20-13-3-8-18-16(11-13)17(12-21-18)19(24)22-14-4-6-15(7-5-14)23-9-1-2-10-23/h3-8,11-12,21H,1-2,9-10H2,(H,22,24)
InChIKeyDFTXQFVUBDQWQJ-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.67
Rot. Bonds3

About 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide

5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide (PubChem CID 113205913) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
PubChem CID113205913
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18ClN3O/c20-13-3-8-18-16(11-13)17(12-21-18)19(24)22-14-4-6-15(7-5-14)23-9-1-2-10-23/h3-8,11-12,21H,1-2,9-10H2,(H,22,24)
InChIKeyDFTXQFVUBDQWQJ-UHFFFAOYSA-N
XLogP4.67
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113208869
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113209558
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide (CID 113205913) is 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide?
The InChIKey is DFTXQFVUBDQWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-13-3-8-18-16(11-13)17(12-21-18)19(24)22-14-4-6-15(7-5-14)23-9-1-2-10-23/h3-8,11-12,21H,1-2,9-10H2,(H,22,24).
What are the key properties of 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide?
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113205913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).