3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide

C18H19ClN2O3 — CID 67534870

IUPAC3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)CCOC1
InChIInChI=1S/C18H19ClN2O3/c19-15-3-1-2-4-16(15)24-14-7-5-13(6-8-14)11-21-17(22)18(20)9-10-23-12-18/h1-8H,9-12,20H2,(H,21,22)
InChIKeyYSLKLXVIFUHDFH-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.87
Rot. Bonds5

About 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide

3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 67534870) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide
PubChem CID67534870
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)CCOC1
InChIInChI=1S/C18H19ClN2O3/c19-15-3-1-2-4-16(15)24-14-7-5-13(6-8-14)11-21-17(22)18(20)9-10-23-12-18/h1-8H,9-12,20H2,(H,21,22)
InChIKeyYSLKLXVIFUHDFH-UHFFFAOYSA-N
XLogP2.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 64892174
(3S)-3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 66617106
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852
N-benzyl-3-methoxyoxolane-3-carboxamide
CID 131015413
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 64891810
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide
CID 154491906
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 112820322

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide (CID 67534870) is 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide is NC1(C(=O)NCc2ccc(Oc3ccccc3Cl)cc2)CCOC1.
What is the InChIKey of 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is YSLKLXVIFUHDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-15-3-1-2-4-16(15)24-14-7-5-13(6-8-14)11-21-17(22)18(20)9-10-23-12-18/h1-8H,9-12,20H2,(H,21,22).
What are the key properties of 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide?
3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 67534870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).