N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide

C14H18BrFN2O2 — CID 66254786

IUPACN-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-4-3-9(16)6-11(12)15/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeySMZXGSFYOCEVFX-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.54
Rot. Bonds5

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

N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254786) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254786
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-4-3-9(16)6-11(12)15/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeySMZXGSFYOCEVFX-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
N-(2,4-dimethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254391
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66254786) is N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is SMZXGSFYOCEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-4-3-9(16)6-11(12)15/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).