N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide

C15H20F2N2O2 — CID 63185072

IUPACN-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-19(9-11-5-4-6-21-11)15(20)10-7-12(16)14(18-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3
InChIKeyFTDJAVIHIILJQA-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.65
Rot. Bonds5

About N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide

N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 63185072) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID63185072
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-19(9-11-5-4-6-21-11)15(20)10-7-12(16)14(18-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3
InChIKeyFTDJAVIHIILJQA-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374809
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 104640524
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
3-(3,5-difluoro-4-methoxyphenyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258787
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 63185072) is N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FTDJAVIHIILJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-19(9-11-5-4-6-21-11)15(20)10-7-12(16)14(18-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 63185072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).