N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide

C19H20ClN3O3 — CID 137035619

IUPACN-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide
SMILESCC(=NNC(=O)c1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H20ClN3O3/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)23-7-9-26-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
InChIKeyDGRCPUUJHIIGBX-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide

N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide (PubChem CID 137035619) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide
PubChem CID137035619
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide
SMILESCC(=NNC(=O)c1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H20ClN3O3/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)23-7-9-26-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
InChIKeyDGRCPUUJHIIGBX-UHFFFAOYSA-N
XLogP3.04
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide (CID 137035619) is N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide is CC(=NNC(=O)c1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide?
The InChIKey is DGRCPUUJHIIGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)23-7-9-26-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide?
N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide has a molecular weight of 373.84 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 137035619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).