3-bromo-4-phenylmethoxybenzohydrazide

C14H13BrN2O2 — CID 54793170

IUPAC3-bromo-4-phenylmethoxybenzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-12-8-11(14(18)17-16)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8H,9,16H2,(H,17,18)
InChIKeyLVRPLQGHMRLSSC-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.63
Rot. Bonds4

About 3-bromo-4-phenylmethoxybenzohydrazide

3-bromo-4-phenylmethoxybenzohydrazide (PubChem CID 54793170) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-bromo-4-phenylmethoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-4-phenylmethoxybenzohydrazide
PubChem CID54793170
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-bromo-4-phenylmethoxybenzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-12-8-11(14(18)17-16)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8H,9,16H2,(H,17,18)
InChIKeyLVRPLQGHMRLSSC-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-bromo-4-(3-phenylpropoxy)benzohydrazide
CID 54793160
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-phenylmethoxybenzohydrazide?
The IUPAC name of 3-bromo-4-phenylmethoxybenzohydrazide (CID 54793170) is 3-bromo-4-phenylmethoxybenzohydrazide.
What is the SMILES notation for 3-bromo-4-phenylmethoxybenzohydrazide?
The canonical SMILES for 3-bromo-4-phenylmethoxybenzohydrazide is NNC(=O)c1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-phenylmethoxybenzohydrazide?
The InChIKey is LVRPLQGHMRLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-8-11(14(18)17-16)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8H,9,16H2,(H,17,18).
What are the key properties of 3-bromo-4-phenylmethoxybenzohydrazide?
3-bromo-4-phenylmethoxybenzohydrazide has a molecular weight of 321.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-phenylmethoxybenzohydrazide is sourced from PubChem (CID 54793170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).