N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

C17H16ClN3O3 — CID 2401395

IUPACN-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O3/c1-11-8-12-4-2-3-5-15(12)20(11)10-17(22)19-13-6-7-14(18)16(9-13)21(23)24/h2-7,9,11H,8,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyCUIDULPBUBXDAJ-LLVKDONJSA-N
MW345.79 g/mol
LogP3.64
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 2401395) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID2401395
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O3/c1-11-8-12-4-2-3-5-15(12)20(11)10-17(22)19-13-6-7-14(18)16(9-13)21(23)24/h2-7,9,11H,8,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyCUIDULPBUBXDAJ-LLVKDONJSA-N
XLogP3.64
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 27516763
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2484554
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3289813
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8724831
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009436
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 51159788
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 55482360
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (CID 2401395) is N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is CUIDULPBUBXDAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11-8-12-4-2-3-5-15(12)20(11)10-17(22)19-13-6-7-14(18)16(9-13)21(23)24/h2-7,9,11H,8,10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 2401395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).