N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide

C14H18ClNO3 — CID 113272873

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCOC2)cc1CCl
InChIInChI=1S/C14H18ClNO3/c1-2-19-13-4-3-12(7-11(13)8-15)16-14(17)10-5-6-18-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyTUBMSOJUNZZSEQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.80
Rot. Bonds5

About N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide

N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide (PubChem CID 113272873) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide
PubChem CID113272873
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCOC2)cc1CCl
InChIInChI=1S/C14H18ClNO3/c1-2-19-13-4-3-12(7-11(13)8-15)16-14(17)10-5-6-18-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyTUBMSOJUNZZSEQ-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003246
N-[3-(chloromethyl)-4-ethoxyphenyl]thiolane-2-carboxamide
CID 114302988
N-[3-(chloromethyl)-4-ethoxyphenyl]thiane-2-carboxamide
CID 114302927
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide (CID 113272873) is N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide is CCOc1ccc(NC(=O)C2CCOC2)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide?
The InChIKey is TUBMSOJUNZZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-19-13-4-3-12(7-11(13)8-15)16-14(17)10-5-6-18-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide?
N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide has a molecular weight of 283.75 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide is sourced from PubChem (CID 113272873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).