2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide

C19H25ClN2O2 — CID 58842077

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
SMILESCC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)C(C)C
InChIInChI=1S/C19H25ClN2O2/c1-5-12(4)18(19(24)11(2)3)22-17(23)8-13-10-21-16-7-6-14(20)9-15(13)16/h6-7,9-12,18,21H,5,8H2,1-4H3,(H,22,23)/t12-,18-/m0/s1
InChIKeyYUDQASHLCOFIIE-SGTLLEGYSA-N
MW348.87 g/mol
LogP4.12
Rot. Bonds7

About 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide

2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide (PubChem CID 58842077) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
PubChem CID58842077
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
SMILESCC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)C(C)C
InChIInChI=1S/C19H25ClN2O2/c1-5-12(4)18(19(24)11(2)3)22-17(23)8-13-10-21-16-7-6-14(20)9-15(13)16/h6-7,9-12,18,21H,5,8H2,1-4H3,(H,22,23)/t12-,18-/m0/s1
InChIKeyYUDQASHLCOFIIE-SGTLLEGYSA-N
XLogP4.12
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide with MolForge

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Related Compounds

2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841956
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
S-sulfanyl (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanethioate
CID 147372892
2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156
2-(5-chloro-1H-indol-3-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 111697345
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide (CID 58842077) is 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide is CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)C(C)C.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide?
The InChIKey is YUDQASHLCOFIIE-SGTLLEGYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-5-12(4)18(19(24)11(2)3)22-17(23)8-13-10-21-16-7-6-14(20)9-15(13)16/h6-7,9-12,18,21H,5,8H2,1-4H3,(H,22,23)/t12-,18-/m0/s1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide has a molecular weight of 348.87 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide is sourced from PubChem (CID 58842077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).