4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide

C15H14FN3O3 — CID 9311170

IUPAC4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FN3O3/c16-12-4-1-10(2-5-12)7-8-18-13-6-3-11(15(17)20)9-14(13)19(21)22/h1-6,9,18H,7-8H2,(H2,17,20)
InChIKeyFGIUAZPPGZYCJG-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.49
Rot. Bonds6

About 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide

4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide (PubChem CID 9311170) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide
PubChem CID9311170
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FN3O3/c16-12-4-1-10(2-5-12)7-8-18-13-6-3-11(15(17)20)9-14(13)19(21)22/h1-6,9,18H,7-8H2,(H2,17,20)
InChIKeyFGIUAZPPGZYCJG-UHFFFAOYSA-N
XLogP2.49
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
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

4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide
CID 9311159
4-(4-aminobutylamino)-3-nitrobenzamide
CID 60894350
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
3-nitro-4-[2-(1,3-thiazol-2-yl)ethylamino]benzamide
CID 62198427
2-(4-carbamoyl-2-nitroanilino)acetic acid
CID 43386338
4-[(4-chlorophenyl)methylamino]-3-nitrobenzamide
CID 3609422
methyl 3-(4-carbamoyl-2-nitroanilino)propanoate
CID 26453888
N-[4-[2-(4-acetyl-2-nitroanilino)ethyl]phenyl]acetamide
CID 133288010
3-nitro-4-(3-sulfamoylpropylamino)benzamide
CID 61064383
methyl 4-[2-(4-bromophenyl)ethylamino]-3-nitrobenzoate
CID 126455332

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide (CID 9311170) is 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide is NC(=O)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide?
The InChIKey is FGIUAZPPGZYCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-4-1-10(2-5-12)7-8-18-13-6-3-11(15(17)20)9-14(13)19(21)22/h1-6,9,18H,7-8H2,(H2,17,20).
What are the key properties of 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide?
4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide has a molecular weight of 303.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide is sourced from PubChem (CID 9311170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).