5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide

C21H22ClN3O2 — CID 55977270

IUPAC5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H22ClN3O2/c22-17-3-6-19-16(13-17)14-20(24-19)21(26)23-18-4-1-15(2-5-18)7-8-25-9-11-27-12-10-25/h1-6,13-14,24H,7-12H2,(H,23,26)
InChIKeyQRZHZPCEZYUHCZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.95
Rot. Bonds5

About 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 55977270) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID55977270
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H22ClN3O2/c22-17-3-6-19-16(13-17)14-20(24-19)21(26)23-18-4-1-15(2-5-18)7-8-25-9-11-27-12-10-25/h1-6,13-14,24H,7-12H2,(H,23,26)
InChIKeyQRZHZPCEZYUHCZ-UHFFFAOYSA-N
XLogP3.95
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113207247
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
CID 30780430
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
CID 91404604
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905402
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]methyl-dimethyl-(oxolan-2-ylmethyl)azanium iodide
CID 118914152
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905661

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide (CID 55977270) is 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is QRZHZPCEZYUHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-3-6-19-16(13-17)14-20(24-19)21(26)23-18-4-1-15(2-5-18)7-8-25-9-11-27-12-10-25/h1-6,13-14,24H,7-12H2,(H,23,26).
What are the key properties of 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55977270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).