2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide

C13H16FN3O3 — CID 107122979

IUPAC2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
SMILESCC(C1CC1)N(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C13H16FN3O3/c1-7(8-3-4-8)16(2)13(18)11-9(14)5-6-10(12(11)15)17(19)20/h5-8H,3-4,15H2,1-2H3
InChIKeyNGNQWCDQXNTYHD-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide

2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide (PubChem CID 107122979) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
PubChem CID107122979
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
SMILESCC(C1CC1)N(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C13H16FN3O3/c1-7(8-3-4-8)16(2)13(18)11-9(14)5-6-10(12(11)15)17(19)20/h5-8H,3-4,15H2,1-2H3
InChIKeyNGNQWCDQXNTYHD-UHFFFAOYSA-N
XLogP2.19
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.19
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

N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122880
2-amino-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
CID 107122932
2-amino-N-ethyl-6-fluoro-N-(2-methylpropyl)-3-nitrobenzamide
CID 107122928
N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
2-amino-6-fluoro-N-(3-methylbutyl)-3-nitrobenzamide
CID 107122826
2-amino-6-fluoro-N-methyl-3-nitro-N-pyridin-2-ylbenzamide
CID 107122836
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
2-amino-6-fluoro-N-(3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107123144
2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
CID 107122863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide (CID 107122979) is 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide is CC(C1CC1)N(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide?
The InChIKey is NGNQWCDQXNTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-7(8-3-4-8)16(2)13(18)11-9(14)5-6-10(12(11)15)17(19)20/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide?
2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide has a molecular weight of 281.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 107122979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).