N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide

C13H16F2N2O4 — CID 104699298

IUPACN-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
SMILESCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)COC
InChIInChI=1S/C13H16F2N2O4/c1-4-16(8(2)7-21-3)13(18)9-5-11(15)12(17(19)20)6-10(9)14/h5-6,8H,4,7H2,1-3H3
InChIKeyLWZVRDZGJNJLFC-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide

N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide (PubChem CID 104699298) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
PubChem CID104699298
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC NameN-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
SMILESCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)COC
InChIInChI=1S/C13H16F2N2O4/c1-4-16(8(2)7-21-3)13(18)9-5-11(15)12(17(19)20)6-10(9)14/h5-6,8H,4,7H2,1-3H3
InChIKeyLWZVRDZGJNJLFC-UHFFFAOYSA-N
XLogP2.37
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
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

2,5-difluoro-4-nitro-N-propan-2-yl-N-propylbenzamide
CID 104699252
N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
CID 107026683
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640
4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118
2,4-difluoro-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 43573536
methyl 2-[(2,5-difluoro-4-nitrobenzoyl)-methylamino]acetate
CID 115880321
N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide
CID 103101728
2,5-difluoro-N-(2-hydroxyethyl)-4-nitro-N-propylbenzamide
CID 115776617
4-methylpentan-2-yl 2,5-difluoro-4-nitrobenzoate
CID 104700542
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
heptyl 2,5-difluoro-4-nitrobenzoate
CID 104700549
N-butan-2-yl-5-chloro-N-ethyl-2-nitrobenzamide
CID 43274565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
The IUPAC name of N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide (CID 104699298) is N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
The canonical SMILES for N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide is CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(C)COC.
What is the InChIKey of N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
The InChIKey is LWZVRDZGJNJLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c1-4-16(8(2)7-21-3)13(18)9-5-11(15)12(17(19)20)6-10(9)14/h5-6,8H,4,7H2,1-3H3.
What are the key properties of N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide has a molecular weight of 302.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 104699298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).