N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide

C12H14ClNO3 — CID 2971218

IUPACN-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCO2)cc1Cl
InChIInChI=1S/C12H14ClNO3/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyQOZKITAQVPAFPE-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.47
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide

N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide (PubChem CID 2971218) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
PubChem CID2971218
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCO2)cc1Cl
InChIInChI=1S/C12H14ClNO3/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyQOZKITAQVPAFPE-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
CID 94705
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
5-(3-Chloro-4-methoxyanilino)-5-oxopentanoic acid
CID 2317183
N-(3-chloro-4-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide;oxalic acid
CID 16302953
N-(4-methoxyphenyl)tetrahydro-2-furancarboxamide
CID 3778526
N-(3-chloro-4-methoxyphenyl)-3-methyl-2-butenamide
CID 731858
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
CID 886049
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] acetate
CID 2089660
Ethyl [(3-chloro-4-methoxyphenyl)amino](oxo)acetate
CID 2273643
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2370685

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide (CID 2971218) is N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide is COc1ccc(NC(=O)C2CCCO2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide?
The InChIKey is QOZKITAQVPAFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2971218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).