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

C23H24ClN3O4 — CID 11683673

IUPAC5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
SMILESCON(C)C(=O)C[C@@]1(O)CC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIInChI=1S/C23H24ClN3O4/c1-27(31-2)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-/m0/s1
InChIKeyVMULOJJCLZKFGW-VXLWULRPSA-N
MW441.92 g/mol
LogP3.16
Rot. Bonds5

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

5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide (PubChem CID 11683673) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
PubChem CID11683673
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
SMILESCON(C)C(=O)C[C@@]1(O)CC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIInChI=1S/C23H24ClN3O4/c1-27(31-2)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-/m0/s1
InChIKeyVMULOJJCLZKFGW-VXLWULRPSA-N
XLogP3.16
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(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
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-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
5-chloro-N-[(2S,3R)-4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 158609195
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-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 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) is 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide is CON(C)C(=O)C[C@@]1(O)CC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21.
What is the InChIKey of 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The InChIKey is VMULOJJCLZKFGW-VXLWULRPSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-27(31-2)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-/m0/s1.
What are the key properties of 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4S)-4-hydroxy-4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11683673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).