N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

C13H15BrF2N2O2 — CID 102853704

IUPACN-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H15BrF2N2O2/c1-2-17-12-6-20-5-7(12)13(19)18-11-3-8(14)9(15)4-10(11)16/h3-4,7,12,17H,2,5-6H2,1H3,(H,18,19)
InChIKeyUUGCMMXEUJVMEM-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.29
Rot. Bonds4

About N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 102853704) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID102853704
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H15BrF2N2O2/c1-2-17-12-6-20-5-7(12)13(19)18-11-3-8(14)9(15)4-10(11)16/h3-4,7,12,17H,2,5-6H2,1H3,(H,18,19)
InChIKeyUUGCMMXEUJVMEM-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
N-(2-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82756801
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-(3-bromo-2-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625139
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107611920
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107583569
N-(2,4-dimethoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259800
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
N-(5-bromo-4-methyl-2-pyridinyl)-4-(ethylamino)oxolane-3-carboxamide
CID 79733517
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 102853704) is N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is UUGCMMXEUJVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c1-2-17-12-6-20-5-7(12)13(19)18-11-3-8(14)9(15)4-10(11)16/h3-4,7,12,17H,2,5-6H2,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 102853704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).