N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide

C18H19N3O5 — CID 110493019

IUPACN-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
SMILESCCCOc1ccc(NC(=O)CNC(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-2-10-26-14-8-9-15(16(11-14)21(24)25)20-17(22)12-19-18(23)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyDPHMOGAPPMAHFZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide

N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide (PubChem CID 110493019) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
PubChem CID110493019
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
SMILESCCCOc1ccc(NC(=O)CNC(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-2-10-26-14-8-9-15(16(11-14)21(24)25)20-17(22)12-19-18(23)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyDPHMOGAPPMAHFZ-UHFFFAOYSA-N
XLogP2.75
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.75
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

4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
CID 110492997
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012447
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
1-(3-chlorophenyl)-3-(2-nitro-4-propoxyphenyl)urea
CID 110493012
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide (CID 110493019) is N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide is CCCOc1ccc(NC(=O)CNC(=O)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is DPHMOGAPPMAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-10-26-14-8-9-15(16(11-14)21(24)25)20-17(22)12-19-18(23)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide?
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 110493019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).