2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide

C17H17FN4O4 — CID 86839616

IUPAC2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O4/c1-19-17(24)14-10-13(22(25)26)6-7-15(14)20-8-9-21-16(23)11-2-4-12(18)5-3-11/h2-7,10,20H,8-9H2,1H3,(H,19,24)(H,21,23)
InChIKeyXYPHYSXNCTWVGS-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.94
Rot. Bonds7

About 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide

2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide (PubChem CID 86839616) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide
PubChem CID86839616
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O4/c1-19-17(24)14-10-13(22(25)26)6-7-15(14)20-8-9-21-16(23)11-2-4-12(18)5-3-11/h2-7,10,20H,8-9H2,1H3,(H,19,24)(H,21,23)
InChIKeyXYPHYSXNCTWVGS-UHFFFAOYSA-N
XLogP1.94
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenyl)sulfanylpropylamino]-N-methyl-5-nitrobenzamide
CID 87020745
4-[2-(methylcarbamoyl)-4-nitroanilino]butanoic acid
CID 122058634
2-(methylamino)-5-nitro-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide
CID 24549856
2-(benzylamino)-N-[(4-fluorophenyl)methyl]-5-nitrobenzamide
CID 7551323
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-chloro-N-[2-(2-chloro-4-nitroanilino)ethyl]-4,5-difluorobenzamide
CID 2845121
N-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 7751857
2-[(3-fluoro-4-methoxyphenyl)methylamino]-N-methyl-5-nitrobenzamide
CID 87020986
N-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide
CID 133305971

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide (CID 86839616) is 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide?
The InChIKey is XYPHYSXNCTWVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-19-17(24)14-10-13(22(25)26)6-7-15(14)20-8-9-21-16(23)11-2-4-12(18)5-3-11/h2-7,10,20H,8-9H2,1H3,(H,19,24)(H,21,23).
What are the key properties of 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide?
2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide has a molecular weight of 360.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 86839616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).