2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide

C20H23ClN2O3 — CID 120788842

IUPAC2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(OCc2ccccc2Cl)cc1)C1CCOCC1
InChIInChI=1S/C20H23ClN2O3/c21-18-4-2-1-3-15(18)13-26-17-7-5-16(6-8-17)23-20(24)19(22)14-9-11-25-12-10-14/h1-8,14,19H,9-13,22H2,(H,23,24)
InChIKeyGXZXPFXBKGIEEB-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.61
Rot. Bonds6

About 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120788842) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120788842
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(OCc2ccccc2Cl)cc1)C1CCOCC1
InChIInChI=1S/C20H23ClN2O3/c21-18-4-2-1-3-15(18)13-26-17-7-5-16(6-8-17)23-20(24)19(22)14-9-11-25-12-10-14/h1-8,14,19H,9-13,22H2,(H,23,24)
InChIKeyGXZXPFXBKGIEEB-UHFFFAOYSA-N
XLogP3.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide (CID 120788842) is 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1ccc(OCc2ccccc2Cl)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is GXZXPFXBKGIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-18-4-2-1-3-15(18)13-26-17-7-5-16(6-8-17)23-20(24)19(22)14-9-11-25-12-10-14/h1-8,14,19H,9-13,22H2,(H,23,24).
What are the key properties of 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120788842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).