2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide

C13H18FN3O3 — CID 107122932

IUPAC2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1N)C(C)C
InChIInChI=1S/C13H18FN3O3/c1-4-7-16(8(2)3)13(18)11-9(14)5-6-10(12(11)15)17(19)20/h5-6,8H,4,7,15H2,1-3H3
InChIKeyLRBRBYOHHRNUPM-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide

2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide (PubChem CID 107122932) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
PubChem CID107122932
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1N)C(C)C
InChIInChI=1S/C13H18FN3O3/c1-4-7-16(8(2)3)13(18)11-9(14)5-6-10(12(11)15)17(19)20/h5-6,8H,4,7,15H2,1-3H3
InChIKeyLRBRBYOHHRNUPM-UHFFFAOYSA-N
XLogP2.58
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.58
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-amino-N-ethyl-6-fluoro-N-(2-methylpropyl)-3-nitrobenzamide
CID 107122928
5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
CID 60876599
2-amino-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
2-amino-6-fluoro-N-(3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107123144
2,5-difluoro-4-nitro-N-propan-2-yl-N-propylbenzamide
CID 104699252
2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122979
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
2-amino-6-fluoro-N-hexan-2-yl-3-nitrobenzamide
CID 107123118
2-amino-6-fluoro-N-(3-methylbutyl)-3-nitrobenzamide
CID 107122826
2-amino-N-(2-ethylbutyl)-6-fluoro-3-nitrobenzamide
CID 107123381
2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-3-nitrobenzamide
CID 107123111
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide (CID 107122932) is 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1N)C(C)C.
What is the InChIKey of 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide?
The InChIKey is LRBRBYOHHRNUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-4-7-16(8(2)3)13(18)11-9(14)5-6-10(12(11)15)17(19)20/h5-6,8H,4,7,15H2,1-3H3.
What are the key properties of 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide?
2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide has a molecular weight of 283.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 107122932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).