4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide

C18H17ClN2O4 — CID 56765990

IUPAC4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-13-6-7-16(22)14(8-13)20-18(24)15-10-25-11-17(23)21(15)9-12-4-2-1-3-5-12/h1-8,15,22H,9-11H2,(H,20,24)
InChIKeyNBLGWKIMBZQKQT-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.41
Rot. Bonds4

About 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide (PubChem CID 56765990) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide
PubChem CID56765990
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-13-6-7-16(22)14(8-13)20-18(24)15-10-25-11-17(23)21(15)9-12-4-2-1-3-5-12/h1-8,15,22H,9-11H2,(H,20,24)
InChIKeyNBLGWKIMBZQKQT-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97066023
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 97064438
(3R)-4-benzyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95368620
(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95985544
(3S)-4-benzyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97075645
(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 95368623
(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
CID 95985527
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide
CID 167799493

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide (CID 56765990) is 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide is O=C(Nc1cc(Cl)ccc1O)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is NBLGWKIMBZQKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-13-6-7-16(22)14(8-13)20-18(24)15-10-25-11-17(23)21(15)9-12-4-2-1-3-5-12/h1-8,15,22H,9-11H2,(H,20,24).
What are the key properties of 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 56765990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).