4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide

C17H18FN3O3 — CID 23877677

IUPAC4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C17H18FN3O3/c1-3-20(4-2)13-7-5-12(6-8-13)17(22)19-16-11-14(21(23)24)9-10-15(16)18/h5-11H,3-4H2,1-2H3,(H,19,22)
InChIKeyKVZCGJPJGKRRIY-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.83
Rot. Bonds6

About 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide

4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide (PubChem CID 23877677) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
PubChem CID23877677
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C17H18FN3O3/c1-3-20(4-2)13-7-5-12(6-8-13)17(22)19-16-11-14(21(23)24)9-10-15(16)18/h5-11H,3-4H2,1-2H3,(H,19,22)
InChIKeyKVZCGJPJGKRRIY-UHFFFAOYSA-N
XLogP3.83
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.83
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

4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
CID 78788740
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide (CID 23877677) is 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide is CCN(CC)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1.
What is the InChIKey of 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide?
The InChIKey is KVZCGJPJGKRRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-3-20(4-2)13-7-5-12(6-8-13)17(22)19-16-11-14(21(23)24)9-10-15(16)18/h5-11H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide?
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide has a molecular weight of 331.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide is sourced from PubChem (CID 23877677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).