(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

C12H14ClNO2 — CID 1086800

IUPAC(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyBKWNJEPRFSSIFE-NSHDSACASA-N
MW239.70 g/mol
LogP2.77
Rot. Bonds2

About (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide (PubChem CID 1086800) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
PubChem CID1086800
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyBKWNJEPRFSSIFE-NSHDSACASA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide (CID 1086800) is (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide is Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide?
The InChIKey is BKWNJEPRFSSIFE-NSHDSACASA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide?
(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide has a molecular weight of 239.70 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 1086800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).