5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide

C20H18ClN3O2 — CID 70764541

IUPAC5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)18(23-15)20(26)24-16-7-4-10-22-19(16)25/h1-3,5-6,8-9,11,16,23H,4,7,10H2,(H,22,25)(H,24,26)
InChIKeyLVRBOYWITBKGSN-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide

5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide (PubChem CID 70764541) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
PubChem CID70764541
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)18(23-15)20(26)24-16-7-4-10-22-19(16)25/h1-3,5-6,8-9,11,16,23H,4,7,10H2,(H,22,25)(H,24,26)
InChIKeyLVRBOYWITBKGSN-UHFFFAOYSA-N
XLogP3.50
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
CID 56914150
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide
CID 69242372
(5-chloro-3-phenyl-1H-indol-2-yl)-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone;hydrochloride
CID 154893872
N-(2-oxopiperidin-3-yl)-1H-indole-3-carboxamide
CID 49149499
5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide
CID 10719211
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide (CID 70764541) is 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide is O=C(NC1CCCNC1=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is LVRBOYWITBKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)18(23-15)20(26)24-16-7-4-10-22-19(16)25/h1-3,5-6,8-9,11,16,23H,4,7,10H2,(H,22,25)(H,24,26).
What are the key properties of 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide?
5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).