N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide

C16H13BrCl2N4O3 — CID 136863891

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C16H13BrCl2N4O3/c17-10-1-4-14(24)9(5-10)7-21-23-15(25)8-20-16(26)22-11-2-3-12(18)13(19)6-11/h1-7,24H,8H2,(H,23,25)(H2,20,22,26)/b21-7-
InChIKeyJOIHMBCOEPTNIS-YXSASFKJSA-N
MW460.12 g/mol
LogP3.73
Rot. Bonds5

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide (PubChem CID 136863891) has the molecular formula C16H13BrCl2N4O3 and a molecular weight of 460.12 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide
PubChem CID136863891
Molecular FormulaC16H13BrCl2N4O3
Molecular Weight460.12 g/mol
Exact Mass457.95
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C16H13BrCl2N4O3/c17-10-1-4-14(24)9(5-10)7-21-23-15(25)8-20-16(26)22-11-2-3-12(18)13(19)6-11/h1-7,24H,8H2,(H,23,25)(H2,20,22,26)/b21-7-
InChIKeyJOIHMBCOEPTNIS-YXSASFKJSA-N
XLogP3.73
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.12
LogP ≤ 53.73
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'}

Analyze N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136863892
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)oxamide
CID 136909048
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
N-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 5178952
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 135679057
N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 136905655
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide (CID 136863891) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide is O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide?
The InChIKey is JOIHMBCOEPTNIS-YXSASFKJSA-N. The full InChI is InChI=1S/C16H13BrCl2N4O3/c17-10-1-4-14(24)9(5-10)7-21-23-15(25)8-20-16(26)22-11-2-3-12(18)13(19)6-11/h1-7,24H,8H2,(H,23,25)(H2,20,22,26)/b21-7-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide has a molecular weight of 460.12 g/mol, XLogP of 3.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide is sourced from PubChem (CID 136863891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).