N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide

C13H14BrNO3 — CID 75503576

IUPACN-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
SMILESCC(=O)c1cc(Br)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C13H14BrNO3/c1-8(16)10-7-9(14)4-5-11(10)15-13(17)12-3-2-6-18-12/h4-5,7,12H,2-3,6H2,1H3,(H,15,17)
InChIKeyYVLNQZMNDDCSHG-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.77
Rot. Bonds3

About N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide

N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide (PubChem CID 75503576) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
PubChem CID75503576
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC NameN-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
SMILESCC(=O)c1cc(Br)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C13H14BrNO3/c1-8(16)10-7-9(14)4-5-11(10)15-13(17)12-3-2-6-18-12/h4-5,7,12H,2-3,6H2,1H3,(H,15,17)
InChIKeyYVLNQZMNDDCSHG-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
CID 18071014
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 136585225

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide (CID 75503576) is N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide is CC(=O)c1cc(Br)ccc1NC(=O)C1CCCO1.
What is the InChIKey of N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide?
The InChIKey is YVLNQZMNDDCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-8(16)10-7-9(14)4-5-11(10)15-13(17)12-3-2-6-18-12/h4-5,7,12H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide?
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 75503576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).