N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide

C18H19N3O5 — CID 27762262

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-3-12-6-4-5-7-14(12)20-17(22)11-19-18(23)13-8-9-16(26-2)15(10-13)21(24)25/h4-10H,3,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyCILQLVZVTGBPKZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide

N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide (PubChem CID 27762262) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
PubChem CID27762262
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-3-12-6-4-5-7-14(12)20-17(22)11-19-18(23)13-8-9-16(26-2)15(10-13)21(24)25/h4-10H,3,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyCILQLVZVTGBPKZ-UHFFFAOYSA-N
XLogP2.53
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-bromoanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 7941785
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 26637653
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
4-methoxy-N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64996817
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
4-methoxy-N-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 24636983
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide (CID 27762262) is N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is CILQLVZVTGBPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-12-6-4-5-7-14(12)20-17(22)11-19-18(23)13-8-9-16(26-2)15(10-13)21(24)25/h4-10H,3,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 27762262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).