N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide

C13H15BrN2O3 — CID 47309395

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-5-10(6-4-9)16-12(17)8-15-13(18)11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,15,18)(H,16,17)
InChIKeyVMBKGTQHOQIDEV-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 47309395) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID47309395
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-5-10(6-4-9)16-12(17)8-15-13(18)11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,15,18)(H,16,17)
InChIKeyVMBKGTQHOQIDEV-UHFFFAOYSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
CID 43062523
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 47309395) is N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide is O=C(CNC(=O)C1CCCO1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is VMBKGTQHOQIDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-3-5-10(6-4-9)16-12(17)8-15-13(18)11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 47309395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).