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

C15H21FN2O2 — CID 62660158

IUPACN-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(F)c1NC
InChIInChI=1S/C15H21FN2O2/c1-3-18(10-11-6-5-9-20-11)15(19)12-7-4-8-13(16)14(12)17-2/h4,7-8,11,17H,3,5-6,9-10H2,1-2H3
InChIKeyVLPATGBAKUKDGY-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.51
Rot. Bonds5

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

N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 62660158) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID62660158
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(F)c1NC
InChIInChI=1S/C15H21FN2O2/c1-3-18(10-11-6-5-9-20-11)15(19)12-7-4-8-13(16)14(12)17-2/h4,7-8,11,17H,3,5-6,9-10H2,1-2H3
InChIKeyVLPATGBAKUKDGY-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
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-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 104640524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 62660158) is N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1cccc(F)c1NC.
What is the InChIKey of N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VLPATGBAKUKDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-18(10-11-6-5-9-20-11)15(19)12-7-4-8-13(16)14(12)17-2/h4,7-8,11,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 280.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 62660158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).