N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide

C13H16FN3O4 — CID 60659844

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16FN3O4/c1-3-15-12(18)8-16(4-2)13(19)9-5-6-10(14)11(7-9)17(20)21/h5-7H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyFKGUYIMPYIAYCQ-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.33
Rot. Bonds6

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide (PubChem CID 60659844) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide
PubChem CID60659844
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16FN3O4/c1-3-15-12(18)8-16(4-2)13(19)9-5-6-10(14)11(7-9)17(20)21/h5-7H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyFKGUYIMPYIAYCQ-UHFFFAOYSA-N
XLogP1.33
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.33
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

methyl 2-[ethyl-(4-fluoro-3-nitrobenzoyl)amino]acetate
CID 61409834
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4-fluoro-3-nitro-N,N-bis(2,2,2-trifluoroethyl)benzamide
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N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
N-ethyl-4-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 24529355
N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
CID 43215642
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
2-(3-cyano-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 115501053
N-ethyl-3-fluoro-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680393

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide (CID 60659844) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide is CCNC(=O)CN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide?
The InChIKey is FKGUYIMPYIAYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c1-3-15-12(18)8-16(4-2)13(19)9-5-6-10(14)11(7-9)17(20)21/h5-7H,3-4,8H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide has a molecular weight of 297.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 60659844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).