3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide

C19H21ClN2O3 — CID 48692579

IUPAC3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(21-19(24)15-4-7-18(23)17(20)12-15)14-2-5-16(6-3-14)22-8-10-25-11-9-22/h2-7,12-13,23H,8-11H2,1H3,(H,21,24)
InChIKeyKRHBBJKZKLMXHS-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.37
Rot. Bonds4

About 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide

3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide (PubChem CID 48692579) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
PubChem CID48692579
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(21-19(24)15-4-7-18(23)17(20)12-15)14-2-5-16(6-3-14)22-8-10-25-11-9-22/h2-7,12-13,23H,8-11H2,1H3,(H,21,24)
InChIKeyKRHBBJKZKLMXHS-UHFFFAOYSA-N
XLogP3.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
4-methyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3-nitrobenzamide
CID 48663876
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
CID 92625898
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
methyl 4-chloro-3-[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]carbamothioylamino]benzoate
CID 100764144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide (CID 48692579) is 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The InChIKey is KRHBBJKZKLMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(21-19(24)15-4-7-18(23)17(20)12-15)14-2-5-16(6-3-14)22-8-10-25-11-9-22/h2-7,12-13,23H,8-11H2,1H3,(H,21,24).
What are the key properties of 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 48692579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).