2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide

C22H19BrN2O3 — CID 4956682

IUPAC2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c23-20-9-5-4-8-19(20)22(27)25-24-21(26)17-10-12-18(13-11-17)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyFWHNZEALGFEZNU-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.15
Rot. Bonds6

About 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide

2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide (PubChem CID 4956682) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
PubChem CID4956682
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c23-20-9-5-4-8-19(20)22(27)25-24-21(26)17-10-12-18(13-11-17)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyFWHNZEALGFEZNU-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide (CID 4956682) is 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1Br)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
The InChIKey is FWHNZEALGFEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c23-20-9-5-4-8-19(20)22(27)25-24-21(26)17-10-12-18(13-11-17)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide?
2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide has a molecular weight of 439.31 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4956682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).