2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C20H16Cl2N4O3 — CID 135491255

IUPAC2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H16Cl2N4O3/c21-16-7-6-13(9-17(16)22)25-20(29)23-11-19(28)26-24-10-15-14-4-2-1-3-12(14)5-8-18(15)27/h1-10,27H,11H2,(H,26,28)(H2,23,25,29)/b24-10+
InChIKeyPUCYONVKSLUEKX-YSURURNPSA-N
MW431.28 g/mol
LogP4.12
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135491255) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135491255
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC Name2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H16Cl2N4O3/c21-16-7-6-13(9-17(16)22)25-20(29)23-11-19(28)26-24-10-15-14-4-2-1-3-12(14)5-8-18(15)27/h1-10,27H,11H2,(H,26,28)(H2,23,25,29)/b24-10+
InChIKeyPUCYONVKSLUEKX-YSURURNPSA-N
XLogP4.12
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.12
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-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
N(2,3-Dichlorophenyl)-2-(2-((2-HO-1-naphthyl)methylene)hydrazino)-2-oxoacetamide
CID 135420130
2-(4-chloro-2-methylanilino)-N'-[(2-hydroxy-1-naphthyl)methylene]butanohydrazide
CID 135533790
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]hydrazinecarbonyl}propanamide
CID 135419649
2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135491244
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491249
2-[(4-fluorophenyl)carbamoylamino]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 311523
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 311540
N-(3,4-dichlorophenyl)-2-{(2E)-2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoacetamide
CID 135592737
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136863419
2-anilino-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 770289
2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135491257

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135491255) is 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is PUCYONVKSLUEKX-YSURURNPSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c21-16-7-6-13(9-17(16)22)25-20(29)23-11-19(28)26-24-10-15-14-4-2-1-3-12(14)5-8-18(15)27/h1-10,27H,11H2,(H,26,28)(H2,23,25,29)/b24-10+.
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 431.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135491255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).