N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide

C13H14F2N2O3 — CID 104699393

IUPACN-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
SMILESCC(CC1CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H14F2N2O3/c1-7(4-8-2-3-8)16-13(18)9-5-11(15)12(17(19)20)6-10(9)14/h5-8H,2-4H2,1H3,(H,16,18)
InChIKeyDQKWUMAGFWWQOL-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.79
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide

N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide (PubChem CID 104699393) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
PubChem CID104699393
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
SMILESCC(CC1CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H14F2N2O3/c1-7(4-8-2-3-8)16-13(18)9-5-11(15)12(17(19)20)6-10(9)14/h5-8H,2-4H2,1H3,(H,16,18)
InChIKeyDQKWUMAGFWWQOL-UHFFFAOYSA-N
XLogP2.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-(4-amino-4-oxobutan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705350
N-(1-cyanopropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699357
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65397452
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
4-[(2,5-difluoro-4-nitrobenzoyl)amino]-3-methylbutanoic acid
CID 104699070
2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 104699258
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
CID 63996005
(2R)-2-[(2,5-difluoro-4-nitrobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823054
4,5-difluoro-N-(4-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 115636184
2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 115766373
N-(1,3-dihydroxypropan-2-yl)-2,4-difluoro-5-nitrobenzamide
CID 65315195

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide (CID 104699393) is N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide is CC(CC1CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide?
The InChIKey is DQKWUMAGFWWQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-7(4-8-2-3-8)16-13(18)9-5-11(15)12(17(19)20)6-10(9)14/h5-8H,2-4H2,1H3,(H,16,18).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide?
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide has a molecular weight of 284.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide is sourced from PubChem (CID 104699393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).