N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide

C24H29BrN4O3 — CID 4508719

IUPACN-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
SMILESO=C(NCCCCC(C(=O)NN=Cc1cccc(Br)c1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29BrN4O3/c25-21-10-6-7-19(17-21)18-27-28-24(31)22(29-13-15-32-16-14-29)11-4-5-12-26-23(30)20-8-2-1-3-9-20/h1-3,6-10,17-18,22H,4-5,11-16H2,(H,26,30)(H,28,31)
InChIKeyQWWRLULNOSLXNP-UHFFFAOYSA-N
MW501.43 g/mol
LogP3.20
Rot. Bonds10

About N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide

N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide (PubChem CID 4508719) has the molecular formula C24H29BrN4O3 and a molecular weight of 501.43 g/mol. Its IUPAC name is N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
PubChem CID4508719
Molecular FormulaC24H29BrN4O3
Molecular Weight501.43 g/mol
Exact Mass500.14
IUPAC NameN-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
SMILESO=C(NCCCCC(C(=O)NN=Cc1cccc(Br)c1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29BrN4O3/c25-21-10-6-7-19(17-21)18-27-28-24(31)22(29-13-15-32-16-14-29)11-4-5-12-26-23(30)20-8-2-1-3-9-20/h1-3,6-10,17-18,22H,4-5,11-16H2,(H,26,30)(H,28,31)
InChIKeyQWWRLULNOSLXNP-UHFFFAOYSA-N
XLogP3.20
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508547
N-[6-[2-(furan-2-ylmethylidene)hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509498
N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
CID 4509497
N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509491
N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869321
N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869327
N-[6-[2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509500
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide (CID 4508719) is N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide is O=C(NCCCCC(C(=O)NN=Cc1cccc(Br)c1)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
The InChIKey is QWWRLULNOSLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O3/c25-21-10-6-7-19(17-21)18-27-28-24(31)22(29-13-15-32-16-14-29)11-4-5-12-26-23(30)20-8-2-1-3-9-20/h1-3,6-10,17-18,22H,4-5,11-16H2,(H,26,30)(H,28,31).
What are the key properties of N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide has a molecular weight of 501.43 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide is sourced from PubChem (CID 4508719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).