(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide

C13H17ClN4O3 — CID 16777669

IUPAC(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1cc(Cl)ccc1N1CCOCC1)=N\O
InChIInChI=1S/C13H17ClN4O3/c14-9-1-2-11(18-3-5-21-6-4-18)10(7-9)16-13(19)8-12(15)17-20/h1-2,7,20H,3-6,8H2,(H2,15,17)(H,16,19)
InChIKeyJDAKFNSKKJFEQY-UHFFFAOYSA-N
MW312.76 g/mol
LogP1.25
Rot. Bonds4

About (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide (PubChem CID 16777669) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
PubChem CID16777669
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC Name(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1cc(Cl)ccc1N1CCOCC1)=N\O
InChIInChI=1S/C13H17ClN4O3/c14-9-1-2-11(18-3-5-21-6-4-18)10(7-9)16-13(19)8-12(15)17-20/h1-2,7,20H,3-6,8H2,(H2,15,17)(H,16,19)
InChIKeyJDAKFNSKKJFEQY-UHFFFAOYSA-N
XLogP1.25
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8839205
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
CID 4963910
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 134064781
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide (CID 16777669) is (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide is N/C(CC(=O)Nc1cc(Cl)ccc1N1CCOCC1)=N\O.
What is the InChIKey of (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide?
The InChIKey is JDAKFNSKKJFEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3/c14-9-1-2-11(18-3-5-21-6-4-18)10(7-9)16-13(19)8-12(15)17-20/h1-2,7,20H,3-6,8H2,(H2,15,17)(H,16,19).
What are the key properties of (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide has a molecular weight of 312.76 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 16777669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).