N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide

C12H14BrNO2 — CID 114310850

IUPACN-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(CBr)cc1)C1CCCO1
InChIInChI=1S/C12H14BrNO2/c13-8-9-3-5-10(6-4-9)14-12(15)11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKeyNPCYMZWHWNBWRZ-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.70
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide

N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide (PubChem CID 114310850) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
PubChem CID114310850
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(CBr)cc1)C1CCCO1
InChIInChI=1S/C12H14BrNO2/c13-8-9-3-5-10(6-4-9)14-12(15)11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKeyNPCYMZWHWNBWRZ-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
CID 82260089
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
CID 110353088
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide (CID 114310850) is N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(CBr)cc1)C1CCCO1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is NPCYMZWHWNBWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-8-9-3-5-10(6-4-9)14-12(15)11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15).
What are the key properties of N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide?
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 114310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).