N-(4-bromophenyl)-5-methyloxolane-2-carboxamide

C12H14BrNO2 — CID 80949197

IUPACN-(4-bromophenyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(Br)cc2)O1
InChIInChI=1S/C12H14BrNO2/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h3-6,8,11H,2,7H2,1H3,(H,14,15)
InChIKeyDETNWWGQGUFJAC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.96
Rot. Bonds2

About N-(4-bromophenyl)-5-methyloxolane-2-carboxamide

N-(4-bromophenyl)-5-methyloxolane-2-carboxamide (PubChem CID 80949197) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-methyloxolane-2-carboxamide
PubChem CID80949197
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-(4-bromophenyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(Br)cc2)O1
InChIInChI=1S/C12H14BrNO2/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h3-6,8,11H,2,7H2,1H3,(H,14,15)
InChIKeyDETNWWGQGUFJAC-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(bromomethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 114310972
N-(6-amino-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 81331226
5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide
CID 106910354
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159129
N-(4-bromo-2-carbamothioylphenyl)-5-methyloxolane-2-carboxamide
CID 82704113
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166158897
4-bromo-3-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 107812525
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-methyloxolane-2-carboxamide (CID 80949197) is N-(4-bromophenyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccc(Br)cc2)O1.
What is the InChIKey of N-(4-bromophenyl)-5-methyloxolane-2-carboxamide?
The InChIKey is DETNWWGQGUFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h3-6,8,11H,2,7H2,1H3,(H,14,15).
What are the key properties of N-(4-bromophenyl)-5-methyloxolane-2-carboxamide?
N-(4-bromophenyl)-5-methyloxolane-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 80949197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).