2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide

C19H20ClN3O3 — CID 66547806

IUPAC2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)C(Nc1ccccc1)C1(O)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN3O3/c1-2-10-21-17(24)16(22-13-6-4-3-5-7-13)19(26)14-9-8-12(20)11-15(14)23-18(19)25/h3-9,11,16,22,26H,2,10H2,1H3,(H,21,24)(H,23,25)
InChIKeyMJQHTCXPXLHKJG-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.49
Rot. Bonds6

About 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide

2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide (PubChem CID 66547806) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide
PubChem CID66547806
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)C(Nc1ccccc1)C1(O)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN3O3/c1-2-10-21-17(24)16(22-13-6-4-3-5-7-13)19(26)14-9-8-12(20)11-15(14)23-18(19)25/h3-9,11,16,22,26H,2,10H2,1H3,(H,21,24)(H,23,25)
InChIKeyMJQHTCXPXLHKJG-UHFFFAOYSA-N
XLogP2.49
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one
CID 957683
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
CID 70320059
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 57479042

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide?
The IUPAC name of 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide (CID 66547806) is 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide is CCCNC(=O)C(Nc1ccccc1)C1(O)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide?
The InChIKey is MJQHTCXPXLHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-2-10-21-17(24)16(22-13-6-4-3-5-7-13)19(26)14-9-8-12(20)11-15(14)23-18(19)25/h3-9,11,16,22,26H,2,10H2,1H3,(H,21,24)(H,23,25).
What are the key properties of 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide?
2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide has a molecular weight of 373.84 g/mol, XLogP of 2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(6-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-N-propylacetamide is sourced from PubChem (CID 66547806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).