2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide

C18H19FN4O4 — CID 47067843

IUPAC2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N
InChIInChI=1S/C18H19FN4O4/c1-3-11-6-4-5-7-14(11)21-16(24)10-22(2)18(25)13-8-12(19)9-15(17(13)20)23(26)27/h4-9H,3,10,20H2,1-2H3,(H,21,24)
InChIKeyPSEBWKCLAWJFCI-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide

2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide (PubChem CID 47067843) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
PubChem CID47067843
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N
InChIInChI=1S/C18H19FN4O4/c1-3-11-6-4-5-7-14(11)21-16(24)10-22(2)18(25)13-8-12(19)9-15(17(13)20)23(26)27/h4-9H,3,10,20H2,1-2H3,(H,21,24)
InChIKeyPSEBWKCLAWJFCI-UHFFFAOYSA-N
XLogP2.59
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 46450103
2-amino-5-fluoro-N-(5-hydroxypentyl)-N-methyl-3-nitrobenzamide
CID 107201138
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 18112696
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55532619
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
CID 107123296
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55755182
2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 52669343
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
CID 17454203

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide (CID 47067843) is 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide?
The InChIKey is PSEBWKCLAWJFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-3-11-6-4-5-7-14(11)21-16(24)10-22(2)18(25)13-8-12(19)9-15(17(13)20)23(26)27/h4-9H,3,10,20H2,1-2H3,(H,21,24).
What are the key properties of 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide?
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide has a molecular weight of 374.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 47067843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).