N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide

C20H18BrN3O3 — CID 55406624

IUPACN'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H18BrN3O3/c1-14(27-18-9-5-7-16(21)13-18)19(25)22-23-20(26)15-6-4-8-17(12-15)24-10-2-3-11-24/h2-14H,1H3,(H,22,25)(H,23,26)
InChIKeyKCKFOLQUXMNQPS-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.47
Rot. Bonds5

About N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide (PubChem CID 55406624) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide
PubChem CID55406624
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H18BrN3O3/c1-14(27-18-9-5-7-16(21)13-18)19(25)22-23-20(26)15-6-4-8-17(12-15)24-10-2-3-11-24/h2-14H,1H3,(H,22,25)(H,23,26)
InChIKeyKCKFOLQUXMNQPS-UHFFFAOYSA-N
XLogP3.47
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.47
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'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 46656819
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55821696
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
N-[(2S,3S)-1-[2-[(2S)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98891748
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide (CID 55406624) is N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide?
The InChIKey is KCKFOLQUXMNQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-14(27-18-9-5-7-16(21)13-18)19(25)22-23-20(26)15-6-4-8-17(12-15)24-10-2-3-11-24/h2-14H,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide has a molecular weight of 428.29 g/mol, XLogP of 3.47, 5 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]-3-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 55406624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).