N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide

C19H19ClN2O3 — CID 9179047

IUPACN-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3cccc(Cl)c32)cc1
InChIInChI=1S/C19H19ClN2O3/c1-3-25-14-9-7-13(8-10-14)11-22-18-15(5-4-6-16(18)20)17(19(22)24)21-12(2)23/h4-10,17H,3,11H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyMZYCBOMCSLDYKV-KRWDZBQOSA-N
MW358.83 g/mol
LogP3.46
Rot. Bonds5

About N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9179047) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9179047
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3cccc(Cl)c32)cc1
InChIInChI=1S/C19H19ClN2O3/c1-3-25-14-9-7-13(8-10-14)11-22-18-15(5-4-6-16(18)20)17(19(22)24)21-12(2)23/h4-10,17H,3,11H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyMZYCBOMCSLDYKV-KRWDZBQOSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9179013
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3R)-7-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178510
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9179002
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178621
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(5R)-4-acetyl-7'-chloro-1'-[(4-ethoxyphenyl)methyl]-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
CID 41254651
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9179047) is N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide is CCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3cccc(Cl)c32)cc1.
What is the InChIKey of N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is MZYCBOMCSLDYKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-3-25-14-9-7-13(8-10-14)11-22-18-15(5-4-6-16(18)20)17(19(22)24)21-12(2)23/h4-10,17H,3,11H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9179047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).