(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide

C14H19ClN2O2 — CID 25384030

IUPAC(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O2/c1-2-16-14(18)17-7-8-19-12(10-17)9-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyKSKJALPGSPBPAP-LBPRGKRZSA-N
MW282.77 g/mol
LogP2.31
Rot. Bonds3

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

(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide (PubChem CID 25384030) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide
PubChem CID25384030
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O2/c1-2-16-14(18)17-7-8-19-12(10-17)9-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyKSKJALPGSPBPAP-LBPRGKRZSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide (CID 25384030) is (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide is CCNC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide?
The InChIKey is KSKJALPGSPBPAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-16-14(18)17-7-8-19-12(10-17)9-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide?
(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 25384030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).