N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide

C13H16ClNO4 — CID 2936716

IUPACN-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CCCO2)cc1Cl
InChIInChI=1S/C13H16ClNO4/c1-17-11-7-12(18-2)9(6-8(11)14)15-13(16)10-4-3-5-19-10/h6-7,10H,3-5H2,1-2H3,(H,15,16)
InChIKeyPJOLWUAXEBXRMQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.47
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide (PubChem CID 2936716) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide
PubChem CID2936716
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CCCO2)cc1Cl
InChIInChI=1S/C13H16ClNO4/c1-17-11-7-12(18-2)9(6-8(11)14)15-13(16)10-4-3-5-19-10/h6-7,10H,3-5H2,1-2H3,(H,15,16)
InChIKeyPJOLWUAXEBXRMQ-UHFFFAOYSA-N
XLogP2.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2933135
Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-
CID 85565
4-(5-Chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 5713502
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836312
N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 2971218
Octadec-9-enoic acid (5-chloro-2,4-dimethoxy-phenyl)-amide
CID 44288197
2-(5-Chloro-2,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 4879542
N,N'-bis(5-chloro-2,4-dimethoxyphenyl)malonamide
CID 1326073
2,5'-Dichloro-2',4'-dimethoxyacetanilide
CID 310166
N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 836289
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(5-chloro-2,4-dimethoxyphenyl)-2-furamide
CID 836314

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide (CID 2936716) is N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide is COc1cc(OC)c(NC(=O)C2CCCO2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide?
The InChIKey is PJOLWUAXEBXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-17-11-7-12(18-2)9(6-8(11)14)15-13(16)10-4-3-5-19-10/h6-7,10H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2936716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).