(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone

C12H14ClNO2 — CID 116561275

IUPAC(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-14-11-7-16-6-9(11)12(15)8-4-2-3-5-10(8)13/h2-5,9,11,14H,6-7H2,1H3
InChIKeyPRQRSWABNMZUTD-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.76
Rot. Bonds3

About (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone

(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 116561275) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID116561275
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-14-11-7-16-6-9(11)12(15)8-4-2-3-5-10(8)13/h2-5,9,11,14H,6-7H2,1H3
InChIKeyPRQRSWABNMZUTD-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone
CID 116561335
N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266165
(4-bromothiophen-3-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561499
furan-3-yl-[4-(methylamino)oxolan-3-yl]methanone
CID 116561550
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 114252133
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561355
(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
CID 66267073
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone (CID 116561275) is (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is PRQRSWABNMZUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-14-11-7-16-6-9(11)12(15)8-4-2-3-5-10(8)13/h2-5,9,11,14H,6-7H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone?
(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone has a molecular weight of 239.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116561275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).