N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide

C11H12FN3O3 — CID 55042740

IUPACN-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
SMILESCNc1cc(C(=O)NC2CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H12FN3O3/c1-13-9-4-7(11(16)14-6-2-3-6)10(15(17)18)5-8(9)12/h4-6,13H,2-3H2,1H3,(H,14,16)
InChIKeyFYQYMZXZNDMKTJ-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.67
Rot. Bonds4

About N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide

N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide (PubChem CID 55042740) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
PubChem CID55042740
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC NameN-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
SMILESCNc1cc(C(=O)NC2CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H12FN3O3/c1-13-9-4-7(11(16)14-6-2-3-6)10(15(17)18)5-8(9)12/h4-6,13H,2-3H2,1H3,(H,14,16)
InChIKeyFYQYMZXZNDMKTJ-UHFFFAOYSA-N
XLogP1.67
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.67
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

N-(2,2-dimethylcyclopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62180358
N-(4-chlorocyclohexyl)-4,5-difluoro-2-nitrobenzamide
CID 114296950
N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62172044
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
N-cyclopropyl-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62168087
N-(3-amino-3-oxopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62168697
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
CID 156846136
4-fluoro-5-(methylamino)-2-nitro-N-pyrimidin-2-ylbenzamide
CID 62172631
4-fluoro-5-(methylamino)-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 62170865
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide (CID 55042740) is N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide is CNc1cc(C(=O)NC2CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide?
The InChIKey is FYQYMZXZNDMKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-13-9-4-7(11(16)14-6-2-3-6)10(15(17)18)5-8(9)12/h4-6,13H,2-3H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide?
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide has a molecular weight of 253.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 55042740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).