(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone

C11H11Cl2NO2 — CID 116587500

IUPAC(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone
SMILESNC1COCC1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO2/c12-6-1-2-9(13)7(3-6)11(15)8-4-16-5-10(8)14/h1-3,8,10H,4-5,14H2
InChIKeyWQSYTPCKGKGBRW-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.15
Rot. Bonds2

About (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone

(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone (PubChem CID 116587500) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone
PubChem CID116587500
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone
SMILESNC1COCC1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO2/c12-6-1-2-9(13)7(3-6)11(15)8-4-16-5-10(8)14/h1-3,8,10H,4-5,14H2
InChIKeyWQSYTPCKGKGBRW-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone
CID 116587504
2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
CID 66237669
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66239454
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
4-amino-N-(2-chloro-5-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239243
(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate
CID 66238721
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
CID 66241218
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
4-amino-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 66237454
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone (CID 116587500) is (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone is NC1COCC1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone?
The InChIKey is WQSYTPCKGKGBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-6-1-2-9(13)7(3-6)11(15)8-4-16-5-10(8)14/h1-3,8,10H,4-5,14H2.
What are the key properties of (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone?
(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone has a molecular weight of 260.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 116587500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).