2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide

C11H14ClN3O2 — CID 10467567

IUPAC2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide
SMILESC/C(=N/NC(=O)C(N)CO)c1ccccc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-7(8-4-2-3-5-9(8)12)14-15-11(17)10(13)6-16/h2-5,10,16H,6,13H2,1H3,(H,15,17)/b14-7-
InChIKeyJSFQIVYUZGOCQA-AUWJEWJLSA-N
MW255.71 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide

2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide (PubChem CID 10467567) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide
PubChem CID10467567
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide
SMILESC/C(=N/NC(=O)C(N)CO)c1ccccc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-7(8-4-2-3-5-9(8)12)14-15-11(17)10(13)6-16/h2-5,10,16H,6,13H2,1H3,(H,15,17)/b14-7-
InChIKeyJSFQIVYUZGOCQA-AUWJEWJLSA-N
XLogP0.50
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506221
2-(4-chloro-2-methylphenoxy)-N-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255
(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 136759335
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(2Z)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409654

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide (CID 10467567) is 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide is C/C(=N/NC(=O)C(N)CO)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide?
The InChIKey is JSFQIVYUZGOCQA-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(8-4-2-3-5-9(8)12)14-15-11(17)10(13)6-16/h2-5,10,16H,6,13H2,1H3,(H,15,17)/b14-7-.
What are the key properties of 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide?
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide has a molecular weight of 255.71 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide is sourced from PubChem (CID 10467567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).