5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide

C23H24ClN3O3 — CID 11633261

IUPAC5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)C[C@@]1(O)C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIInChI=1S/C23H24ClN3O3/c1-27(2)21(28)13-23(30)12-17(10-14-5-3-4-6-18(14)23)25-22(29)20-11-15-9-16(24)7-8-19(15)26-20/h3-9,11,17,26,30H,10,12-13H2,1-2H3,(H,25,29)/t17-,23+/m1/s1
InChIKeyHTXOBLYYUJJDMN-HXOBKFHXSA-N
MW425.92 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide (PubChem CID 11633261) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
PubChem CID11633261
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)C[C@@]1(O)C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIInChI=1S/C23H24ClN3O3/c1-27(2)21(28)13-23(30)12-17(10-14-5-3-4-6-18(14)23)25-22(29)20-11-15-9-16(24)7-8-19(15)26-20/h3-9,11,17,26,30H,10,12-13H2,1-2H3,(H,25,29)/t17-,23+/m1/s1
InChIKeyHTXOBLYYUJJDMN-HXOBKFHXSA-N
XLogP3.23
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
CID 11683673
(2S)-2-[[2-[(1S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 11699719
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11625122
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
(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-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
N-[(1R,2S)-2-amino-4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]-5-chloro-1H-indole-2-carboxamide;hydrochloride
CID 70662076
N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide
CID 143006254
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
5-chloro-N-[(1R,4R)-3-oxo-1-propan-2-yl-1,2,4,5-tetrahydro-2-benzazepin-4-yl]-1H-indole-2-carboxamide
CID 163415310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide (CID 11633261) is 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide is CN(C)C(=O)C[C@@]1(O)C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21.
What is the InChIKey of 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HTXOBLYYUJJDMN-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-27(2)21(28)13-23(30)12-17(10-14-5-3-4-6-18(14)23)25-22(29)20-11-15-9-16(24)7-8-19(15)26-20/h3-9,11,17,26,30H,10,12-13H2,1-2H3,(H,25,29)/t17-,23+/m1/s1.
What are the key properties of 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11633261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).