N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

C13H15BrClFN2O2 — CID 107611920

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H15BrClFN2O2/c1-2-17-11-6-20-5-8(11)13(19)18-12-9(14)3-7(16)4-10(12)15/h3-4,8,11,17H,2,5-6H2,1H3,(H,18,19)
InChIKeyILPXTIHUUDGSOJ-UHFFFAOYSA-N
MW365.63 g/mol
LogP2.80
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 107611920) has the molecular formula C13H15BrClFN2O2 and a molecular weight of 365.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID107611920
Molecular FormulaC13H15BrClFN2O2
Molecular Weight365.63 g/mol
Exact Mass364.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H15BrClFN2O2/c1-2-17-11-6-20-5-8(11)13(19)18-12-9(14)3-7(16)4-10(12)15/h3-4,8,11,17H,2,5-6H2,1H3,(H,18,19)
InChIKeyILPXTIHUUDGSOJ-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.63
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
N-(2-chloro-6-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66254364
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
3-bromo-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66258145
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588089
N-(2-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82756801
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide
CID 79733517
N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82867796

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 107611920) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is ILPXTIHUUDGSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN2O2/c1-2-17-11-6-20-5-8(11)13(19)18-12-9(14)3-7(16)4-10(12)15/h3-4,8,11,17H,2,5-6H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 365.63 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107611920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).