2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide

C14H17ClN2O3 — CID 11335457

IUPAC2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CN1C(=O)Cc2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O3/c1-2-11(8-18)16-13(19)7-17-12-4-3-10(15)5-9(12)6-14(17)20/h3-5,11,18H,2,6-8H2,1H3,(H,16,19)
InChIKeyHRLHPQWUBBPHHK-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.12
Rot. Bonds5

About 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 11335457) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID11335457
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CN1C(=O)Cc2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O3/c1-2-11(8-18)16-13(19)7-17-12-4-3-10(15)5-9(12)6-14(17)20/h3-5,11,18H,2,6-8H2,1H3,(H,16,19)
InChIKeyHRLHPQWUBBPHHK-UHFFFAOYSA-N
XLogP1.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 66761528
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-chloro-2-oxo-3H-indol-1-yl)acetamide
CID 153410656
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 67247022
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
1-(2-bromoethyl)-5-chloro-3H-indol-2-one
CID 141484546
1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375770
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
CID 95922016
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9427038
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide (CID 11335457) is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)CN1C(=O)Cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is HRLHPQWUBBPHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-11(8-18)16-13(19)7-17-12-4-3-10(15)5-9(12)6-14(17)20/h3-5,11,18H,2,6-8H2,1H3,(H,16,19).
What are the key properties of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide?
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 296.75 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 11335457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).