N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide

C15H19FN2O3 — CID 103297389

IUPACN-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCCC(CC1CC1)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C15H19FN2O3/c1-3-11(7-10-4-5-10)17-15(19)13-8-12(18(20)21)6-9(2)14(13)16/h6,8,10-11H,3-5,7H2,1-2H3,(H,17,19)
InChIKeyNJBORQCFSSPUQD-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.35
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide

N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297389) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297389
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCCC(CC1CC1)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F
InChIInChI=1S/C15H19FN2O3/c1-3-11(7-10-4-5-10)17-15(19)13-8-12(18(20)21)6-9(2)14(13)16/h6,8,10-11H,3-5,7H2,1-2H3,(H,17,19)
InChIKeyNJBORQCFSSPUQD-UHFFFAOYSA-N
XLogP3.35
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.35
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

2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-5-nitrobenzamide
CID 103297678
N-(1-aminobutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297737
2-cyclopropyl-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296985
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103297619
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297364
2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methyl-5-nitrobenzamide
CID 106182714
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103297145
2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 107412478
(2S)-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 103296976
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
2-fluoro-3-methyl-N-(2-methylpropoxy)-5-nitrobenzamide
CID 103297655
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297389) is N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide is CCC(CC1CC1)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is NJBORQCFSSPUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-11(7-10-4-5-10)17-15(19)13-8-12(18(20)21)6-9(2)14(13)16/h6,8,10-11H,3-5,7H2,1-2H3,(H,17,19).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 294.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).