N'-(4-chlorobenzoyl)-4-propylbenzohydrazide

C17H17ClN2O2 — CID 765467

IUPACN'-(4-chlorobenzoyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-3-12-4-6-13(7-5-12)16(21)19-20-17(22)14-8-10-15(18)11-9-14/h4-11H,2-3H2,1H3,(H,19,21)(H,20,22)
InChIKeyOMQUCSOKBPQOOW-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.37
Rot. Bonds4

About N'-(4-chlorobenzoyl)-4-propylbenzohydrazide

N'-(4-chlorobenzoyl)-4-propylbenzohydrazide (PubChem CID 765467) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-propylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-propylbenzohydrazide
PubChem CID765467
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-(4-chlorobenzoyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-3-12-4-6-13(7-5-12)16(21)19-20-17(22)14-8-10-15(18)11-9-14/h4-11H,2-3H2,1H3,(H,19,21)(H,20,22)
InChIKeyOMQUCSOKBPQOOW-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.37
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

N'-hydroxy-4-propylbenzohydrazide
CID 18359035
N'-(4-chloro-2-methylphenyl)-4-propylbenzohydrazide
CID 2811343
1-(4-butylphenyl)-3-[(4-chlorobenzoyl)amino]thiourea
CID 4873620
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N'-acetyl-4-chlorobenzohydrazide
CID 799230
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-propylbenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-propylbenzohydrazide (CID 765467) is N'-(4-chlorobenzoyl)-4-propylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-propylbenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-propylbenzohydrazide is CCCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-propylbenzohydrazide?
The InChIKey is OMQUCSOKBPQOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-3-12-4-6-13(7-5-12)16(21)19-20-17(22)14-8-10-15(18)11-9-14/h4-11H,2-3H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chlorobenzoyl)-4-propylbenzohydrazide?
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide has a molecular weight of 316.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-propylbenzohydrazide is sourced from PubChem (CID 765467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).