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

C21H17ClN2O2 — CID 1367057

IUPAC3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O2/c22-19-8-4-7-18(14-19)21(26)24-23-20(25)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,23,25)(H,24,26)
InChIKeyIFEXOCXBILGCNQ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.01
Rot. Bonds4

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

3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide (PubChem CID 1367057) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
PubChem CID1367057
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O2/c22-19-8-4-7-18(14-19)21(26)24-23-20(25)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,23,25)(H,24,26)
InChIKeyIFEXOCXBILGCNQ-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8913304
3-chloro-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 4592773
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
3-chloro-N'-(2,2-diphenylacetyl)benzohydrazide
CID 1378804
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide (CID 1367057) is 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide is O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide?
The InChIKey is IFEXOCXBILGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-19-8-4-7-18(14-19)21(26)24-23-20(25)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide?
3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide has a molecular weight of 364.83 g/mol, XLogP of 4.01, 4 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-phenylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 1367057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).