N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide

C14H17ClN2O2 — CID 9179013

IUPACN-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(Cl)c21
InChIInChI=1S/C14H17ClN2O2/c1-3-4-8-17-13-10(6-5-7-11(13)15)12(14(17)19)16-9(2)18/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyTTXJJCJXPRZGSV-LBPRGKRZSA-N
MW280.75 g/mol
LogP2.66
Rot. Bonds4

About N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9179013) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9179013
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(Cl)c21
InChIInChI=1S/C14H17ClN2O2/c1-3-4-8-17-13-10(6-5-7-11(13)15)12(14(17)19)16-9(2)18/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyTTXJJCJXPRZGSV-LBPRGKRZSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide (CID 9179013) is N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide is CCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(Cl)c21.
What is the InChIKey of N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is TTXJJCJXPRZGSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-4-8-17-13-10(6-5-7-11(13)15)12(14(17)19)16-9(2)18/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9179013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).