N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H16N2O3 — CID 9011538

IUPACN-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O3/c1-11-15(6-3-7-16(11)19(21)22)18-17(20)14-9-8-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5H2,1H3,(H,18,20)
InChIKeyHOTYRQCJNCJNIW-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.64
Rot. Bonds3

About N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9011538) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9011538
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O3/c1-11-15(6-3-7-16(11)19(21)22)18-17(20)14-9-8-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5H2,1H3,(H,18,20)
InChIKeyHOTYRQCJNCJNIW-UHFFFAOYSA-N
XLogP3.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.64
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-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-methyl-3-nitrophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26796727
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257991
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
(2S)-N-(2-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100746467
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 9011538) is N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1c(NC(=O)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HOTYRQCJNCJNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-15(6-3-7-16(11)19(21)22)18-17(20)14-9-8-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9011538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).