4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide

C13H17BrN4O3 — CID 102774750

IUPAC4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNNC(=O)c1ccc(CN2CCOCC2C(N)=O)c(Br)c1
InChIInChI=1S/C13H17BrN4O3/c14-10-5-8(13(20)17-16)1-2-9(10)6-18-3-4-21-7-11(18)12(15)19/h1-2,5,11H,3-4,6-7,16H2,(H2,15,19)(H,17,20)
InChIKeyPDSANUNKQFOVLN-UHFFFAOYSA-N
MW357.21 g/mol
LogP-0.26
Rot. Bonds4

About 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide

4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 102774750) has the molecular formula C13H17BrN4O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID102774750
Molecular FormulaC13H17BrN4O3
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC Name4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNNC(=O)c1ccc(CN2CCOCC2C(N)=O)c(Br)c1
InChIInChI=1S/C13H17BrN4O3/c14-10-5-8(13(20)17-16)1-2-9(10)6-18-3-4-21-7-11(18)12(15)19/h1-2,5,11H,3-4,6-7,16H2,(H2,15,19)(H,17,20)
InChIKeyPDSANUNKQFOVLN-UHFFFAOYSA-N
XLogP-0.26
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
3-bromo-4-[(3-methylthiomorpholin-4-yl)methyl]benzohydrazide
CID 102774702
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 107458428
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
methyl 4-[(2-bromo-4-nitrophenyl)methyl]morpholine-3-carboxylate
CID 104775034
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427

Frequently Asked Questions

What is the IUPAC name of 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide (CID 102774750) is 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide is NNC(=O)c1ccc(CN2CCOCC2C(N)=O)c(Br)c1.
What is the InChIKey of 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is PDSANUNKQFOVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O3/c14-10-5-8(13(20)17-16)1-2-9(10)6-18-3-4-21-7-11(18)12(15)19/h1-2,5,11H,3-4,6-7,16H2,(H2,15,19)(H,17,20).
What are the key properties of 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide?
4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 102774750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).