N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide

C20H21ClN2O3 — CID 7447387

IUPACN-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C20H21ClN2O3/c1-12(2)26-16-7-4-14(5-8-16)11-23-18-9-6-15(21)10-17(18)19(20(23)25)22-13(3)24/h4-10,12,19H,11H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyLLVXFVPXWZZBFZ-LJQANCHMSA-N
MW372.85 g/mol
LogP3.85
Rot. Bonds5

About N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide

N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 7447387) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
PubChem CID7447387
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C20H21ClN2O3/c1-12(2)26-16-7-4-14(5-8-16)11-23-18-9-6-15(21)10-17(18)19(20(23)25)22-13(3)24/h4-10,12,19H,11H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyLLVXFVPXWZZBFZ-LJQANCHMSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide with MolForge

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Related Compounds

N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178851
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178925
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
5-chloro-3-hydroxy-3-(2-oxopropyl)-1-[(4-propan-2-yloxyphenyl)methyl]indol-2-one
CID 6499686
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179047

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide (CID 7447387) is N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The InChIKey is LLVXFVPXWZZBFZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12(2)26-16-7-4-14(5-8-16)11-23-18-9-6-15(21)10-17(18)19(20(23)25)22-13(3)24/h4-10,12,19H,11H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 372.85 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 7447387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).