2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H14Cl2N4O3 — CID 135491257

IUPAC2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14Cl2N4O3/c17-11-5-3-6-12(15(11)18)21-16(25)19-9-14(24)22-20-8-10-4-1-2-7-13(10)23/h1-8,23H,9H2,(H,22,24)(H2,19,21,25)/b20-8+
InChIKeyHCFPXXWHGUKAGG-DNTJNYDQSA-N
MW381.22 g/mol
LogP2.97
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135491257) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135491257
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14Cl2N4O3/c17-11-5-3-6-12(15(11)18)21-16(25)19-9-14(24)22-20-8-10-4-1-2-7-13(10)23/h1-8,23H,9H2,(H,22,24)(H2,19,21,25)/b20-8+
InChIKeyHCFPXXWHGUKAGG-DNTJNYDQSA-N
XLogP2.97
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136224902
2-(3-chloro-4-fluoro-anilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 136400277
(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 155567144
N-(3,4-Dichlorophenyl)-2-(2-(3-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 9672201
N-(2,3-Dichlorophenyl)-2-(2-(2-methoxybenzylidene)hydrazino)-2-oxoacetamide
CID 9743680
N-(3,4-Dichlorophenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135613568
N-(2,3-Dichlorophenyl)-2-(2-(2,4-dihydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135616060
N-(2,3-Dichlorophenyl)-2-(2-(4-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135817001
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 135419709
2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135491255
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
N-(3,4-Dichlorophenyl)-2-{N'-[(E)-(2-hydroxyphenyl)methylidene]hydrazinecarbonyl}acetamide
CID 135479507

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135491257) is 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNC(=O)Nc1cccc(Cl)c1Cl)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is HCFPXXWHGUKAGG-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c17-11-5-3-6-12(15(11)18)21-16(25)19-9-14(24)22-20-8-10-4-1-2-7-13(10)23/h1-8,23H,9H2,(H,22,24)(H2,19,21,25)/b20-8+.
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 381.22 g/mol, XLogP of 2.97, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135491257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).