N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide

C14H17ClN2O — CID 69068794

IUPACN-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O/c1-9(18)17-14(2,3)7-10-8-16-13-5-4-11(15)6-12(10)13/h4-6,8,16H,7H2,1-3H3,(H,17,18)
InChIKeyDBBISUACQWPAND-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.28
Rot. Bonds3

About N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide

N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide (PubChem CID 69068794) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
PubChem CID69068794
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O/c1-9(18)17-14(2,3)7-10-8-16-13-5-4-11(15)6-12(10)13/h4-6,8,16H,7H2,1-3H3,(H,17,18)
InChIKeyDBBISUACQWPAND-UHFFFAOYSA-N
XLogP3.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
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-methoxyacetamide
CID 110611810
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide (CID 69068794) is N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
The InChIKey is DBBISUACQWPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(18)17-14(2,3)7-10-8-16-13-5-4-11(15)6-12(10)13/h4-6,8,16H,7H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide has a molecular weight of 264.76 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 69068794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).