N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide

C12H13FN2O3 — CID 43377587

IUPACN-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
SMILESCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1
InChIInChI=1S/C12H13FN2O3/c1-2-14(8-3-4-8)12(16)10-7-9(15(17)18)5-6-11(10)13/h5-8H,2-4H2,1H3
InChIKeyJQZINSZADWQAOW-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.36
Rot. Bonds4

About N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide

N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide (PubChem CID 43377587) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
PubChem CID43377587
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
SMILESCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1
InChIInChI=1S/C12H13FN2O3/c1-2-14(8-3-4-8)12(16)10-7-9(15(17)18)5-6-11(10)13/h5-8H,2-4H2,1H3
InChIKeyJQZINSZADWQAOW-UHFFFAOYSA-N
XLogP2.36
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
3-[ethyl-(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 62826348
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
2-amino-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455
3-[(2-fluoro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 60989798
2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide
CID 61052359
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
2-[(2-fluoro-5-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 60832066
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 61050877

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide (CID 43377587) is N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide is CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide?
The InChIKey is JQZINSZADWQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-2-14(8-3-4-8)12(16)10-7-9(15(17)18)5-6-11(10)13/h5-8H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide?
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide has a molecular weight of 252.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide is sourced from PubChem (CID 43377587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).