3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide

C20H17ClN2O3 — CID 9475645

IUPAC3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN2O3/c21-16-8-4-7-15(13-16)20(25)23-22-19(24)12-10-17-9-11-18(26-17)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,22,24)(H,23,25)
InChIKeyNZFKJIQCLDWLOE-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.99
Rot. Bonds5

About 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide

3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide (PubChem CID 9475645) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
PubChem CID9475645
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN2O3/c21-16-8-4-7-15(13-16)20(25)23-22-19(24)12-10-17-9-11-18(26-17)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,22,24)(H,23,25)
InChIKeyNZFKJIQCLDWLOE-UHFFFAOYSA-N
XLogP3.99
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(5-phenylfuran-2-yl)propanoyl]pyridine-3-carbohydrazide
CID 51157515
N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400552
4-ethoxy-3-methoxy-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9439850
3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 35767998
N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
CID 26718505
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide (CID 9475645) is 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide is O=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide?
The InChIKey is NZFKJIQCLDWLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-16-8-4-7-15(13-16)20(25)23-22-19(24)12-10-17-9-11-18(26-17)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide?
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide has a molecular weight of 368.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 9475645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).