N-[(2-bromophenyl)methyl]oxolane-2-carboxamide

C12H14BrNO2 — CID 2971017

IUPACN-[(2-bromophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccccc1Br)C1CCCO1
InChIInChI=1S/C12H14BrNO2/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-8H2,(H,14,15)
InChIKeyOUSSNUUGPGPWLC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.24
Rot. Bonds3

About N-[(2-bromophenyl)methyl]oxolane-2-carboxamide

N-[(2-bromophenyl)methyl]oxolane-2-carboxamide (PubChem CID 2971017) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]oxolane-2-carboxamide
PubChem CID2971017
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[(2-bromophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccccc1Br)C1CCCO1
InChIInChI=1S/C12H14BrNO2/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-8H2,(H,14,15)
InChIKeyOUSSNUUGPGPWLC-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]oxolane-2-carboxamide (CID 2971017) is N-[(2-bromophenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]oxolane-2-carboxamide is O=C(NCc1ccccc1Br)C1CCCO1.
What is the InChIKey of N-[(2-bromophenyl)methyl]oxolane-2-carboxamide?
The InChIKey is OUSSNUUGPGPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-8H2,(H,14,15).
What are the key properties of N-[(2-bromophenyl)methyl]oxolane-2-carboxamide?
N-[(2-bromophenyl)methyl]oxolane-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 2971017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).