N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide

C14H18ClNO3 — CID 110782930

IUPACN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1c(C)cc(Cl)cc1CNC(=O)C1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-9-6-11(15)7-10(13(9)18-2)8-16-14(17)12-4-3-5-19-12/h6-7,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyLCVBEHCILQOSMC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.45
Rot. Bonds4

About N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 110782930) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
PubChem CID110782930
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1c(C)cc(Cl)cc1CNC(=O)C1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-9-6-11(15)7-10(13(9)18-2)8-16-14(17)12-4-3-5-19-12/h6-7,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyLCVBEHCILQOSMC-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide
CID 110275082
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[(5-amino-2-methoxyphenyl)methyl]oxane-2-carboxamide
CID 55048276
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide (CID 110782930) is N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide is COc1c(C)cc(Cl)cc1CNC(=O)C1CCCO1.
What is the InChIKey of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is LCVBEHCILQOSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9-6-11(15)7-10(13(9)18-2)8-16-14(17)12-4-3-5-19-12/h6-7,12H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide?
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 283.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110782930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).