4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide

C15H22ClN3O2 — CID 83103969

IUPAC4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(CNC)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-3-18-15(20)14-10-21-7-6-19(14)13-5-4-11(9-17-2)8-12(13)16/h4-5,8,14,17H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyJWEXFAOUSBUSRK-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.40
Rot. Bonds5

About 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide

4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83103969) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83103969
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(CNC)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-3-18-15(20)14-10-21-7-6-19(14)13-5-4-11(9-17-2)8-12(13)16/h4-5,8,14,17H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyJWEXFAOUSBUSRK-UHFFFAOYSA-N
XLogP1.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097596
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N-ethylmorpholine-3-carboxamide
CID 83103965
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide (CID 83103969) is 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ccc(CNC)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is JWEXFAOUSBUSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-18-15(20)14-10-21-7-6-19(14)13-5-4-11(9-17-2)8-12(13)16/h4-5,8,14,17H,3,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83103969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).