4-[(4-chlorophenoxy)methyl]benzohydrazide

C14H13ClN2O2 — CID 2060452

IUPAC4-[(4-chlorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)19-9-10-1-3-11(4-2-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyLQJFLGKXJRWHKR-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.52
Rot. Bonds4

About 4-[(4-chlorophenoxy)methyl]benzohydrazide

4-[(4-chlorophenoxy)methyl]benzohydrazide (PubChem CID 2060452) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]benzohydrazide
PubChem CID2060452
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-[(4-chlorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)19-9-10-1-3-11(4-2-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyLQJFLGKXJRWHKR-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.52
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

2-(Benzyloxy)benzohydrazide
CID 935766
N'-(4-chlorobenzoyl)-2-methoxybenzohydrazide
CID 790059
4-(Benzyloxy)benzohydrazide
CID 1526486
N'-(3-phenoxypropanoyl)benzohydrazide
CID 2082175
3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide
CID 3343038
4-((4-Methylbenzyl)oxy)benzohydrazide
CID 1490262
3-Phenoxybenzhydrazide
CID 607488
3-Benzyloxybenzhydrazide
CID 2735491
3-Methoxy-benzoic acid N'-[2-(4-chloro-phenyl)-acetyl]-hydrazide
CID 789926
4-[(2-Methoxyphenoxy)methyl]benzohydrazide
CID 840784
4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide
CID 4251870
3,5-dichloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 17133586

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]benzohydrazide (CID 2060452) is 4-[(4-chlorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]benzohydrazide?
The InChIKey is LQJFLGKXJRWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)19-9-10-1-3-11(4-2-10)14(18)17-16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 4-[(4-chlorophenoxy)methyl]benzohydrazide?
4-[(4-chlorophenoxy)methyl]benzohydrazide has a molecular weight of 276.72 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 2060452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).