2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide

C14H19FN2O2 — CID 62660157

IUPAC2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H19FN2O2/c1-2-17(9-10-5-4-8-19-10)14(18)11-6-3-7-12(15)13(11)16/h3,6-7,10H,2,4-5,8-9,16H2,1H3
InChIKeyCUTHOSNWDSKQPY-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide

2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 62660157) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID62660157
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H19FN2O2/c1-2-17(9-10-5-4-8-19-10)14(18)11-6-3-7-12(15)13(11)16/h3,6-7,10H,2,4-5,8-9,16H2,1H3
InChIKeyCUTHOSNWDSKQPY-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 47790086
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 62660157) is 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CUTHOSNWDSKQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-17(9-10-5-4-8-19-10)14(18)11-6-3-7-12(15)13(11)16/h3,6-7,10H,2,4-5,8-9,16H2,1H3.
What are the key properties of 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide?
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 266.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 62660157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).