N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide

C20H22BrN3O2 — CID 4268320

IUPACN-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCC(=NNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3O2/c1-15(17-6-8-19(21)9-7-17)22-23-20(25)18-4-2-16(3-5-18)14-24-10-12-26-13-11-24/h2-9H,10-14H2,1H3,(H,23,25)
InChIKeyVQCMVZSAQCYVBS-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide

N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 4268320) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID4268320
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCC(=NNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3O2/c1-15(17-6-8-19(21)9-7-17)22-23-20(25)18-4-2-16(3-5-18)14-24-10-12-26-13-11-24/h2-9H,10-14H2,1H3,(H,23,25)
InChIKeyVQCMVZSAQCYVBS-UHFFFAOYSA-N
XLogP3.44
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
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-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6156574
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 92662299
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
CID 762046
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide
CID 164618606
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide (CID 4268320) is N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide is CC(=NNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is VQCMVZSAQCYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-15(17-6-8-19(21)9-7-17)22-23-20(25)18-4-2-16(3-5-18)14-24-10-12-26-13-11-24/h2-9H,10-14H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 416.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 4268320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).