N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide

C18H17BrClN3O3 — CID 5206376

IUPACN-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(Cl)cc1C=NNC(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H17BrClN3O3/c1-2-26-16-8-7-13(20)9-12(16)11-21-23-18(25)10-17(24)22-15-6-4-3-5-14(15)19/h3-9,11H,2,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYFBSTWNWTLPXEX-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.98
Rot. Bonds7

About N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide

N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide (PubChem CID 5206376) has the molecular formula C18H17BrClN3O3 and a molecular weight of 438.71 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide
PubChem CID5206376
Molecular FormulaC18H17BrClN3O3
Molecular Weight438.71 g/mol
Exact Mass437.01
IUPAC NameN-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(Cl)cc1C=NNC(=O)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H17BrClN3O3/c1-2-26-16-8-7-13(20)9-12(16)11-21-23-18(25)10-17(24)22-15-6-4-3-5-14(15)19/h3-9,11H,2,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYFBSTWNWTLPXEX-UHFFFAOYSA-N
XLogP3.98
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

N-(2-bromophenyl)-N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 3294440
N'-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4215625
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
CID 126382035
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3323945
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4011223
N'-[(5-chloro-2-propan-2-yloxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3334640
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204
ethyl 2-[4-[[[3-(2-bromoanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3990528
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
N-[(1S)-3-[(2Z)-2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 126011325

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide (CID 5206376) is N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide is CCOc1ccc(Cl)cc1C=NNC(=O)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is YFBSTWNWTLPXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O3/c1-2-26-16-8-7-13(20)9-12(16)11-21-23-18(25)10-17(24)22-15-6-4-3-5-14(15)19/h3-9,11H,2,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide?
N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 438.71 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 5206376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).