N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide

C15H19ClN2O — CID 110415872

IUPACN-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H19ClN2O/c1-3-4-7-18(2)15(19)8-11-10-17-14-6-5-12(16)9-13(11)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyYNXKQHMVGHFDJJ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.62
Rot. Bonds5

About N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide

N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide (PubChem CID 110415872) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
PubChem CID110415872
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H19ClN2O/c1-3-4-7-18(2)15(19)8-11-10-17-14-6-5-12(16)9-13(11)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyYNXKQHMVGHFDJJ-UHFFFAOYSA-N
XLogP3.62
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99702664
2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543131
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629562
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide (CID 110415872) is N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide is CCCCN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide?
The InChIKey is YNXKQHMVGHFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-4-7-18(2)15(19)8-11-10-17-14-6-5-12(16)9-13(11)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide?
N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide has a molecular weight of 278.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 110415872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).