4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide

C13H17ClN2O3 — CID 83096321

IUPAC4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
SMILESCC(O)c1ccc(N2CCOCC2C(N)=O)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8(17)10-3-2-9(6-11(10)14)16-4-5-19-7-12(16)13(15)18/h2-3,6,8,12,17H,4-5,7H2,1H3,(H2,15,18)
InChIKeyPOWQVZHTACVNEV-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.08
Rot. Bonds3

About 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide

4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83096321) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
PubChem CID83096321
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
SMILESCC(O)c1ccc(N2CCOCC2C(N)=O)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8(17)10-3-2-9(6-11(10)14)16-4-5-19-7-12(16)13(15)18/h2-3,6,8,12,17H,4-5,7H2,1H3,(H2,15,18)
InChIKeyPOWQVZHTACVNEV-UHFFFAOYSA-N
XLogP1.08
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.08
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-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
4-(3-bromophenyl)morpholine-3-carboxamide
CID 130363342
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
CID 83095812
4-[5-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83095626
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782260
4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide
CID 83101200
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide (CID 83096321) is 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide is CC(O)c1ccc(N2CCOCC2C(N)=O)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is POWQVZHTACVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(17)10-3-2-9(6-11(10)14)16-4-5-19-7-12(16)13(15)18/h2-3,6,8,12,17H,4-5,7H2,1H3,(H2,15,18).
What are the key properties of 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).