3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide

C21H15Cl2N3O2 — CID 74220672

IUPAC3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide
SMILESCOc1nccc(Cl)c1-c1cc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C21H15Cl2N3O2/c1-28-21-19(16(23)7-8-24-21)18-10-12-5-6-15(11-17(12)26-18)25-20(27)13-3-2-4-14(22)9-13/h2-11,26H,1H3,(H,25,27)
InChIKeyICPJZUCHNIHBHR-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.80
Rot. Bonds4

About 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide

3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide (PubChem CID 74220672) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide
PubChem CID74220672
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide
SMILESCOc1nccc(Cl)c1-c1cc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C21H15Cl2N3O2/c1-28-21-19(16(23)7-8-24-21)18-10-12-5-6-15(11-17(12)26-18)25-20(27)13-3-2-4-14(22)9-13/h2-11,26H,1H3,(H,25,27)
InChIKeyICPJZUCHNIHBHR-UHFFFAOYSA-N
XLogP5.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]carbamate
CID 90102920
3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604388
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide
CID 156773715
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide (CID 74220672) is 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide is COc1nccc(Cl)c1-c1cc2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide?
The InChIKey is ICPJZUCHNIHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c1-28-21-19(16(23)7-8-24-21)18-10-12-5-6-15(11-17(12)26-18)25-20(27)13-3-2-4-14(22)9-13/h2-11,26H,1H3,(H,25,27).
What are the key properties of 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide?
3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide has a molecular weight of 412.28 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chloro-2-methoxy-3-pyridinyl)-1H-indol-6-yl]benzamide is sourced from PubChem (CID 74220672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).