N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide

C19H19N3O3 — CID 51301435

IUPACN-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
SMILESO=C(NC1CC1)c1ccc(NC2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O3/c23-19(20-14-7-8-14)13-6-10-17(18(11-13)22(24)25)21-16-9-5-12-3-1-2-4-15(12)16/h1-4,6,10-11,14,16,21H,5,7-9H2,(H,20,23)
InChIKeyMTAMGDRENXWIOJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.59
Rot. Bonds5

About N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide

N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide (PubChem CID 51301435) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
PubChem CID51301435
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
SMILESO=C(NC1CC1)c1ccc(NC2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O3/c23-19(20-14-7-8-14)13-6-10-17(18(11-13)22(24)25)21-16-9-5-12-3-1-2-4-15(12)16/h1-4,6,10-11,14,16,21H,5,7-9H2,(H,20,23)
InChIKeyMTAMGDRENXWIOJ-UHFFFAOYSA-N
XLogP3.59
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
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

4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
CID 51301434
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 42925944
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
4-(4-acetylpiperazin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 55458056
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-N-cyclopropyl-3-nitrobenzamide
CID 133435711
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
CID 26131147
4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-3-nitrobenzamide
CID 52505874
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
CID 84819035

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide (CID 51301435) is N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide is O=C(NC1CC1)c1ccc(NC2CCc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide?
The InChIKey is MTAMGDRENXWIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(20-14-7-8-14)13-6-10-17(18(11-13)22(24)25)21-16-9-5-12-3-1-2-4-15(12)16/h1-4,6,10-11,14,16,21H,5,7-9H2,(H,20,23).
What are the key properties of N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide?
N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide is sourced from PubChem (CID 51301435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).