4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide

C13H17ClN2O2 — CID 66237478

IUPAC4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-1-2-9(6-10)4-5-16-13(17)11-7-18-8-12(11)15/h1-3,6,11-12H,4-5,7-8,15H2,(H,16,17)
InChIKeyHTJHPVFZNRUBEL-UHFFFAOYSA-N
MW268.74 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide

4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide (PubChem CID 66237478) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
PubChem CID66237478
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-1-2-9(6-10)4-5-16-13(17)11-7-18-8-12(11)15/h1-3,6,11-12H,4-5,7-8,15H2,(H,16,17)
InChIKeyHTJHPVFZNRUBEL-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
(3-chlorophenyl)methyl 4-aminooxolane-3-carboxylate
CID 66238721
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
2-(3-chlorophenyl)ethylurea
CID 127513466
(1S,2S,3S,4S)-3-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 18557569
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide (CID 66237478) is 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is HTJHPVFZNRUBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-3-1-2-9(6-10)4-5-16-13(17)11-7-18-8-12(11)15/h1-3,6,11-12H,4-5,7-8,15H2,(H,16,17).
What are the key properties of 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide?
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66237478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).