N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide

C14H17FN2O4 — CID 61435608

IUPACN-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17FN2O4/c1-2-16(9-11-4-3-7-21-11)14(18)12-8-10(15)5-6-13(12)17(19)20/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyYHJCPHPSDIHIOM-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide

N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61435608) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61435608
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17FN2O4/c1-2-16(9-11-4-3-7-21-11)14(18)12-8-10(15)5-6-13(12)17(19)20/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyYHJCPHPSDIHIOM-UHFFFAOYSA-N
XLogP2.38
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 63954339
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
N-[2-(dimethylamino)ethyl]-2-fluoro-4-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95334225
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
5-fluoro-N-methyl-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82734881
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 19119950
N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide
CID 63103856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide (CID 61435608) is N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YHJCPHPSDIHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-16(9-11-4-3-7-21-11)14(18)12-8-10(15)5-6-13(12)17(19)20/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide?
N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 296.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61435608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).