N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide

C14H17FN2O3 — CID 107398303

IUPACN-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17FN2O3/c1-2-16(9-10-4-3-5-10)14(18)12-8-11(15)6-7-13(12)17(19)20/h6-8,10H,2-5,9H2,1H3
InChIKeyYVUHAFABGMVABX-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.00
Rot. Bonds5

About N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide

N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide (PubChem CID 107398303) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
PubChem CID107398303
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17FN2O3/c1-2-16(9-10-4-3-5-10)14(18)12-8-11(15)6-7-13(12)17(19)20/h6-8,10H,2-5,9H2,1H3
InChIKeyYVUHAFABGMVABX-UHFFFAOYSA-N
XLogP3.00
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.00
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-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 61435608
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide
CID 63103856
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
CID 107399084
N-(2-cyclobutylethyl)-5-fluoro-2-nitrobenzamide
CID 115687037
N-(cyclobutylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 107401291
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-nitrobenzamide
CID 107401352
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide (CID 107398303) is N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide is CCN(CC1CCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
The InChIKey is YVUHAFABGMVABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-16(9-10-4-3-5-10)14(18)12-8-11(15)6-7-13(12)17(19)20/h6-8,10H,2-5,9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide has a molecular weight of 280.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide is sourced from PubChem (CID 107398303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).