2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide

C14H12FN3O3 — CID 62161761

IUPAC2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1F
InChIInChI=1S/C14H12FN3O3/c1-17(13-5-3-2-4-11(13)15)14(19)10-8-9(18(20)21)6-7-12(10)16/h2-8H,16H2,1H3
InChIKeyNXDHKRJSYPHEGB-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide

2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide (PubChem CID 62161761) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
PubChem CID62161761
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1F
InChIInChI=1S/C14H12FN3O3/c1-17(13-5-3-2-4-11(13)15)14(19)10-8-9(18(20)21)6-7-12(10)16/h2-8H,16H2,1H3
InChIKeyNXDHKRJSYPHEGB-UHFFFAOYSA-N
XLogP2.59
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-bromo-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 140859837
2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
CID 106937177
2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 122619129
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
2-chloro-N-(2-fluorophenyl)-N-methyl-3-nitropyridine-4-carboxamide
CID 64857632
2-amino-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-nitrobenzamide
CID 100673050
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
CID 107027760
2-amino-N-[2-[2-(2-fluorobenzoyl)-N-methyl-4-nitroanilino]-2-oxoethyl]acetamide;hydrochloride
CID 169432932
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide (CID 62161761) is 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide is CN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1F.
What is the InChIKey of 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide?
The InChIKey is NXDHKRJSYPHEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-17(13-5-3-2-4-11(13)15)14(19)10-8-9(18(20)21)6-7-12(10)16/h2-8H,16H2,1H3.
What are the key properties of 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide?
2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 62161761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).