3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide

C16H12ClF3N2O2 — CID 27134177

IUPAC3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-13-3-1-2-11(9-13)15(24)22-21-14(23)8-10-4-6-12(7-5-10)16(18,19)20/h1-7,9H,8H2,(H,21,23)(H,22,24)
InChIKeyJPLVKZBFXOQTGJ-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.36
Rot. Bonds3

About 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide

3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide (PubChem CID 27134177) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
PubChem CID27134177
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-13-3-1-2-11(9-13)15(24)22-21-14(23)8-10-4-6-12(7-5-10)16(18,19)20/h1-7,9H,8H2,(H,21,23)(H,22,24)
InChIKeyJPLVKZBFXOQTGJ-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27606687
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8913304
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
CID 3327073
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide (CID 27134177) is 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide is O=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The InChIKey is JPLVKZBFXOQTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-13-3-1-2-11(9-13)15(24)22-21-14(23)8-10-4-6-12(7-5-10)16(18,19)20/h1-7,9H,8H2,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide has a molecular weight of 356.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide is sourced from PubChem (CID 27134177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).