4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide

C16H15ClN2O3 — CID 59422014

IUPAC4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C16H15ClN2O3/c17-10-11-4-6-13(7-5-11)16(22)19-18-15(21)9-12-2-1-3-14(20)8-12/h1-8,20H,9-10H2,(H,18,21)(H,19,22)
InChIKeySLKSQTYLUZWNDE-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.13
Rot. Bonds4

About 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide

4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide (PubChem CID 59422014) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
PubChem CID59422014
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C16H15ClN2O3/c17-10-11-4-6-13(7-5-11)16(22)19-18-15(21)9-12-2-1-3-14(20)8-12/h1-8,20H,9-10H2,(H,18,21)(H,19,22)
InChIKeySLKSQTYLUZWNDE-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide
CID 89245814
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
CID 59421966
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide
CID 166407635
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
CID 59421984
4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 59422031
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide (CID 59422014) is 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide is O=C(Cc1cccc(O)c1)NNC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The InChIKey is SLKSQTYLUZWNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-10-11-4-6-13(7-5-11)16(22)19-18-15(21)9-12-2-1-3-14(20)8-12/h1-8,20H,9-10H2,(H,18,21)(H,19,22).
What are the key properties of 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide has a molecular weight of 318.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 59422014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).