N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide

C19H20BrN3O3 — CID 126271169

IUPACN-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
SMILESCOc1ccccc1/C=N\NC(=O)CCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O3/c1-26-17-6-3-2-5-14(17)13-21-23-19(25)8-4-7-18(24)22-16-11-9-15(20)10-12-16/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyMDUCFFSHFCHWMJ-BKUYFWCQSA-N
MW418.29 g/mol
LogP3.72
Rot. Bonds8

About N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide

N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide (PubChem CID 126271169) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
PubChem CID126271169
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
SMILESCOc1ccccc1/C=N\NC(=O)CCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O3/c1-26-17-6-3-2-5-14(17)13-21-23-19(25)8-4-7-18(24)22-16-11-9-15(20)10-12-16/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyMDUCFFSHFCHWMJ-BKUYFWCQSA-N
XLogP3.72
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
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

N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
N-(4-bromophenyl)-N'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44507470
N-(4-bromophenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 6144716
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-[4-(trifluoromethyl)phenyl]butanediamide
CID 19579638
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 135613904

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide (CID 126271169) is N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide is COc1ccccc1/C=N\NC(=O)CCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide?
The InChIKey is MDUCFFSHFCHWMJ-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-26-17-6-3-2-5-14(17)13-21-23-19(25)8-4-7-18(24)22-16-11-9-15(20)10-12-16/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,22,24)(H,23,25)/b21-13-.
What are the key properties of N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide?
N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide has a molecular weight of 418.29 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 126271169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).