N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide

C12H14ClNO2 — CID 42906730

IUPACN-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H14ClNO2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyFWGQNVBLDOZHLS-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.77
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide

N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide (PubChem CID 42906730) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
PubChem CID42906730
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H14ClNO2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyFWGQNVBLDOZHLS-UHFFFAOYSA-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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Related Compounds

3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 113438975
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
methyl 3-[4-chloro-2-[[(2R)-oxolane-2-carbonyl]amino]anilino]-2-methylbenzoate
CID 67129331
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
CID 81264318
(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide
CID 9171691

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide (CID 42906730) is N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCCO1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide?
The InChIKey is FWGQNVBLDOZHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide?
N-(4-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 N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 42906730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).