N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide

C11H11BrClNO2 — CID 81272173

IUPACN-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CCCO1
InChIInChI=1S/C11H11BrClNO2/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChIKeyYNDGRMPDKFOSPH-UHFFFAOYSA-N
MW304.57 g/mol
LogP3.22
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide

N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide (PubChem CID 81272173) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
PubChem CID81272173
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC NameN-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CCCO1
InChIInChI=1S/C11H11BrClNO2/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChIKeyYNDGRMPDKFOSPH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 96510032
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide (CID 81272173) is N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide is O=C(Nc1cc(Cl)ccc1Br)C1CCCO1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide?
The InChIKey is YNDGRMPDKFOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15).
What are the key properties of N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide?
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide has a molecular weight of 304.57 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 81272173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).