N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide

C14H15FN2O3 — CID 63103856

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide
SMILESO=C(c1cc(F)ccc1[N+](=O)[O-])N(CC1CC1)C1CC1
InChIInChI=1S/C14H15FN2O3/c15-10-3-6-13(17(19)20)12(7-10)14(18)16(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2
InChIKeyJXBJNULIRSCXBP-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.75
Rot. Bonds5

About N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide

N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide (PubChem CID 63103856) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide
PubChem CID63103856
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide
SMILESO=C(c1cc(F)ccc1[N+](=O)[O-])N(CC1CC1)C1CC1
InChIInChI=1S/C14H15FN2O3/c15-10-3-6-13(17(19)20)12(7-10)14(18)16(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2
InChIKeyJXBJNULIRSCXBP-UHFFFAOYSA-N
XLogP2.75
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.75
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

N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 63954339
N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
2-[cyclopropyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 122067083
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855
N-(2-cyclobutylethyl)-5-fluoro-2-nitrobenzamide
CID 115687037
N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 61435608
2-[cyclopropyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65462619
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide (CID 63103856) is N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide is O=C(c1cc(F)ccc1[N+](=O)[O-])N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide?
The InChIKey is JXBJNULIRSCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-10-3-6-13(17(19)20)12(7-10)14(18)16(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide?
N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide has a molecular weight of 278.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide is sourced from PubChem (CID 63103856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).