4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide

C19H20N2O4 — CID 51317283

IUPAC4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-2-25-17-9-8-14(12-16(17)21(23)24)18(22)20-13-19(10-11-19)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyBACQYMBAESIMIC-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.46
Rot. Bonds7

About 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide

4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 51317283) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID51317283
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-2-25-17-9-8-14(12-16(17)21(23)24)18(22)20-13-19(10-11-19)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyBACQYMBAESIMIC-UHFFFAOYSA-N
XLogP3.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.46
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

4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 30389994
3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145585
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657
4-ethoxy-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827071
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8938097
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 51317283) is 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide is CCOc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is BACQYMBAESIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-25-17-9-8-14(12-16(17)21(23)24)18(22)20-13-19(10-11-19)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22).
What are the key properties of 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide?
4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 51317283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).