1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide

C16H19ClN2O2 — CID 113212590

IUPAC1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCC(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C16H19ClN2O2/c1-10(2)6-7-18-16(21)14-9-19(11(3)20)15-5-4-12(17)8-13(14)15/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)
InChIKeyBKGMJCDXPFYHIL-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.73
Rot. Bonds4

About 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide

1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide (PubChem CID 113212590) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
PubChem CID113212590
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCC(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C16H19ClN2O2/c1-10(2)6-7-18-16(21)14-9-19(11(3)20)15-5-4-12(17)8-13(14)15/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)
InChIKeyBKGMJCDXPFYHIL-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212938
1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 113212543
1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
CID 113212529
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113212636
1-(5-chloro-3-hydroxyindol-1-yl)ethanone
CID 12825917
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
CID 113212614

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide (CID 113212590) is 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)NCCC(C)C)c2cc(Cl)ccc21.
What is the InChIKey of 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide?
The InChIKey is BKGMJCDXPFYHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10(2)6-7-18-16(21)14-9-19(11(3)20)15-5-4-12(17)8-13(14)15/h4-5,8-10H,6-7H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide?
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide is sourced from PubChem (CID 113212590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).