N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide

C13H17ClN2O2 — CID 2697528

IUPACN-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-4-2-1-3-11(12)9-15-13(17)10-16-5-7-18-8-6-16/h1-4H,5-10H2,(H,15,17)
InChIKeySCWVQAWEYPNWQF-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.29
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide

N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide (PubChem CID 2697528) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
PubChem CID2697528
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-4-2-1-3-11(12)9-15-13(17)10-16-5-7-18-8-6-16/h1-4H,5-10H2,(H,15,17)
InChIKeySCWVQAWEYPNWQF-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide (CID 2697528) is N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide?
The InChIKey is SCWVQAWEYPNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-4-2-1-3-11(12)9-15-13(17)10-16-5-7-18-8-6-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide?
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide has a molecular weight of 268.74 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2697528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).