N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

C18H16ClN3O3 — CID 98209770

IUPACN-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H16ClN3O3/c1-22-14-5-3-2-4-13(14)15(18(22)25)21-17(24)16(23)20-10-11-6-8-12(19)9-7-11/h2-9,15H,10H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyAAOAPYYJGWCCJZ-HNNXBMFYSA-N
MW357.80 g/mol
LogP1.79
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 98209770) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID98209770
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H16ClN3O3/c1-22-14-5-3-2-4-13(14)15(18(22)25)21-17(24)16(23)20-10-11-6-8-12(19)9-7-11/h2-9,15H,10H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyAAOAPYYJGWCCJZ-HNNXBMFYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
N-[(2-methoxyphenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 41008990
(2R)-N-[(4-chlorophenyl)methyl]-2-methyl-N'-[(7R)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanediamide
CID 129362768
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
N-[2-(2-hydroxyethoxy)ethyl]-N'-(1-methyl-2-oxo-3H-indol-3-yl)oxamide
CID 51043505
N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 98231836
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 98213664
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557
N-[3-(diethylamino)propyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 29075014
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
CID 51972137
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 41009071
N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 51972629

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (CID 98209770) is N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is AAOAPYYJGWCCJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-22-14-5-3-2-4-13(14)15(18(22)25)21-17(24)16(23)20-10-11-6-8-12(19)9-7-11/h2-9,15H,10H2,1H3,(H,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 357.80 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 98209770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).