(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide

C16H14ClN3O3 — CID 27516763

IUPAC(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O3/c1-10-8-11-4-2-3-5-14(11)19(10)16(21)18-12-6-7-13(17)15(9-12)20(22)23/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQCCXSFWIDSDTIS-JTQLQIEISA-N
MW331.76 g/mol
LogP4.23
Rot. Bonds2

About (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide

(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 27516763) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID27516763
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O3/c1-10-8-11-4-2-3-5-14(11)19(10)16(21)18-12-6-7-13(17)15(9-12)20(22)23/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQCCXSFWIDSDTIS-JTQLQIEISA-N
XLogP4.23
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2401395
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 27493583
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate
CID 7765003
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866632
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 108872669
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 41066106

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide (CID 27516763) is (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide is C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QCCXSFWIDSDTIS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-10-8-11-4-2-3-5-14(11)19(10)16(21)18-12-6-7-13(17)15(9-12)20(22)23/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 27516763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).