N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide

C19H18Cl2N2O3 — CID 9178993

IUPACN-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H18Cl2N2O3/c1-12(24)22-18-16-11-14(21)5-8-17(16)23(19(18)25)9-2-10-26-15-6-3-13(20)4-7-15/h3-8,11,18H,2,9-10H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyOPEJQYRYNBVDCJ-GOSISDBHSA-N
MW393.27 g/mol
LogP3.99
Rot. Bonds6

About N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178993) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178993
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC NameN-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H18Cl2N2O3/c1-12(24)22-18-16-11-14(21)5-8-17(16)23(19(18)25)9-2-10-26-15-6-3-13(20)4-7-15/h3-8,11,18H,2,9-10H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyOPEJQYRYNBVDCJ-GOSISDBHSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178925
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178434
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3R)-5-methyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178450

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178993) is N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is OPEJQYRYNBVDCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-12(24)22-18-16-11-14(21)5-8-17(16)23(19(18)25)9-2-10-26-15-6-3-13(20)4-7-15/h3-8,11,18H,2,9-10H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 393.27 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).