N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide

C13H17BrN2O2 — CID 75499394

IUPACN-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
SMILESCCNc1ccc(Br)cc1NC(=O)C1CCCO1
InChIInChI=1S/C13H17BrN2O2/c1-2-15-10-6-5-9(14)8-11(10)16-13(17)12-4-3-7-18-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)
InChIKeyRBRZTAMCSQZFLY-UHFFFAOYSA-N
MW313.20 g/mol
LogP3.00
Rot. Bonds4

About N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide

N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide (PubChem CID 75499394) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
PubChem CID75499394
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC NameN-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
SMILESCCNc1ccc(Br)cc1NC(=O)C1CCCO1
InChIInChI=1S/C13H17BrN2O2/c1-2-15-10-6-5-9(14)8-11(10)16-13(17)12-4-3-7-18-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)
InChIKeyRBRZTAMCSQZFLY-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 136585225
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
N-(5-bromo-2-methyl-3-nitrophenyl)oxolane-2-carboxamide
CID 122148444
N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
CID 17362633
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide (CID 75499394) is N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide is CCNc1ccc(Br)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide?
The InChIKey is RBRZTAMCSQZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-15-10-6-5-9(14)8-11(10)16-13(17)12-4-3-7-18-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17).
What are the key properties of N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide?
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 3.00, 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-(ethylamino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 75499394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).