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

C13H16BrFN2O2 — CID 107625654

IUPACN-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-11-5-8(15)3-4-10(11)14/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyCXMSDVVCMFOXJQ-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.15
Rot. Bonds4

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

N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 107625654) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID107625654
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-11-5-8(15)3-4-10(11)14/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyCXMSDVVCMFOXJQ-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82756801
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
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-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82867796
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257880
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 107625654) is N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is CXMSDVVCMFOXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-11-5-8(15)3-4-10(11)14/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 331.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107625654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).