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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Related Compounds

N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179047
N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178578
N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9179002
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178813
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9179124
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3R)-7-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178510
N-[(3S)-4,7-dichloro-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179193
N-[(3R)-7-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178562
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487

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).