N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide

C19H17BrN2O4 — CID 60550621

IUPACN'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1ccc2oc(C(=O)NNC(=O)C(C)Oc3cccc(Br)c3)cc2c1
InChIInChI=1S/C19H17BrN2O4/c1-11-6-7-16-13(8-11)9-17(26-16)19(24)22-21-18(23)12(2)25-15-5-3-4-14(20)10-15/h3-10,12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyVJARDGDRFGLQJC-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.73
Rot. Bonds4

About N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 60550621) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide
PubChem CID60550621
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1ccc2oc(C(=O)NNC(=O)C(C)Oc3cccc(Br)c3)cc2c1
InChIInChI=1S/C19H17BrN2O4/c1-11-6-7-16-13(8-11)9-17(26-16)19(24)22-21-18(23)12(2)25-15-5-3-4-14(20)10-15/h3-10,12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyVJARDGDRFGLQJC-UHFFFAOYSA-N
XLogP3.73
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-(3-methylphenyl)thiourea
CID 8681401
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
6-bromo-N'-[(2R)-2-(4-bromophenoxy)propanoyl]-2-oxochromene-3-carbohydrazide
CID 1253490
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9370836
2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide
CID 78783911
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide (CID 60550621) is N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide is Cc1ccc2oc(C(=O)NNC(=O)C(C)Oc3cccc(Br)c3)cc2c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is VJARDGDRFGLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-11-6-7-16-13(8-11)9-17(26-16)19(24)22-21-18(23)12(2)25-15-5-3-4-14(20)10-15/h3-10,12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 417.26 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 60550621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).