2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide

C14H19FN2O3 — CID 61052359

IUPAC2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1F)C(C)C
InChIInChI=1S/C14H19FN2O3/c1-9(2)8-16(10(3)4)14(18)12-7-11(17(19)20)5-6-13(12)15/h5-7,9-10H,8H2,1-4H3
InChIKeyZSMFRJZGGVAGAY-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.24
Rot. Bonds5

About 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide

2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide (PubChem CID 61052359) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide
PubChem CID61052359
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide
SMILESCC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1F)C(C)C
InChIInChI=1S/C14H19FN2O3/c1-9(2)8-16(10(3)4)14(18)12-7-11(17(19)20)5-6-13(12)15/h5-7,9-10H,8H2,1-4H3
InChIKeyZSMFRJZGGVAGAY-UHFFFAOYSA-N
XLogP3.24
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.24
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

2-[(2-fluoro-5-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 60832066
3-[ethyl-(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 62826348
2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 62186189
methyl 2-[(2-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetate
CID 61062540
N-(3-chloropropyl)-2-methyl-5-nitro-N-propan-2-ylbenzamide
CID 63390779
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
5-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzamide
CID 62185663
3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
3-[(2-fluoro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 60989798
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide (CID 61052359) is 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide is CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide?
The InChIKey is ZSMFRJZGGVAGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9(2)8-16(10(3)4)14(18)12-7-11(17(19)20)5-6-13(12)15/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide?
2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide has a molecular weight of 282.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 61052359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).