N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide

C12H15ClN2O2 — CID 800997

IUPACN-[(2-chlorophenyl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c13-11-4-2-1-3-10(11)9-14-12(16)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyQHEUAAXJFMWHND-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.88
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide

N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide (PubChem CID 800997) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]morpholine-4-carboxamide
PubChem CID800997
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[(2-chlorophenyl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c13-11-4-2-1-3-10(11)9-14-12(16)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyQHEUAAXJFMWHND-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide (CID 800997) is N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide is O=C(NCc1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide?
The InChIKey is QHEUAAXJFMWHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-4-2-1-3-10(11)9-14-12(16)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide?
N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 800997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).