N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide

C21H20ClN3O4 — CID 69202053

IUPACN-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide
SMILESNC(=O)COc1cccc2c1CC(NC(=O)c1cc3cc(Cl)ccc3[nH]1)C(O)C2
InChIInChI=1S/C21H20ClN3O4/c22-13-4-5-15-12(6-13)7-17(24-15)21(28)25-16-9-14-11(8-18(16)26)2-1-3-19(14)29-10-20(23)27/h1-7,16,18,24,26H,8-10H2,(H2,23,27)(H,25,28)
InChIKeyRBEAEGRDTHACTF-UHFFFAOYSA-N
MW413.86 g/mol
LogP1.94
Rot. Bonds5

About N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide

N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 69202053) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide
PubChem CID69202053
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC NameN-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide
SMILESNC(=O)COc1cccc2c1CC(NC(=O)c1cc3cc(Cl)ccc3[nH]1)C(O)C2
InChIInChI=1S/C21H20ClN3O4/c22-13-4-5-15-12(6-13)7-17(24-15)21(28)25-16-9-14-11(8-18(16)26)2-1-3-19(14)29-10-20(23)27/h1-7,16,18,24,26H,8-10H2,(H2,23,27)(H,25,28)
InChIKeyRBEAEGRDTHACTF-UHFFFAOYSA-N
XLogP1.94
TPSA117.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11510762
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442866
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
(2R)-2-[(1R,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 68930958
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-5-oxooxolan-3-yl]carbamic acid
CID 67056443
[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67056497

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide (CID 69202053) is N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide is NC(=O)COc1cccc2c1CC(NC(=O)c1cc3cc(Cl)ccc3[nH]1)C(O)C2.
What is the InChIKey of N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is RBEAEGRDTHACTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c22-13-4-5-15-12(6-13)7-17(24-15)21(28)25-16-9-14-11(8-18(16)26)2-1-3-19(14)29-10-20(23)27/h1-7,16,18,24,26H,8-10H2,(H2,23,27)(H,25,28).
What are the key properties of N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide?
N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 413.86 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 69202053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).