2-chloro-4-propylbenzohydrazide

C10H13ClN2O — CID 138958414

IUPAC2-chloro-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NN)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-2-3-7-4-5-8(9(11)6-7)10(14)13-12/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyGHPIBXQYJNJGSS-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.90
Rot. Bonds3

About 2-chloro-4-propylbenzohydrazide

2-chloro-4-propylbenzohydrazide (PubChem CID 138958414) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-4-propylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-4-propylbenzohydrazide
PubChem CID138958414
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NN)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-2-3-7-4-5-8(9(11)6-7)10(14)13-12/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyGHPIBXQYJNJGSS-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
1-(4-butyl-2-chlorophenyl)ethanone
CID 106659109
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
methyl 2-chloro-4-pentylbenzoate
CID 154455158
methyl 2-chloro-4-octylbenzoate
CID 135308122
2-chloro-4-propylaniline
CID 19914844
2-chloro-4-cyanobenzohydrazide
CID 130952526
ethyl 4-(2-bromoethyl)-2-chlorobenzoate
CID 174282952
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-fluoro-4-propylbenzamide
CID 175786906
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
ethyl 4-(3-bromopropyl)-2-chlorobenzoate
CID 134645155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propylbenzohydrazide?
The IUPAC name of 2-chloro-4-propylbenzohydrazide (CID 138958414) is 2-chloro-4-propylbenzohydrazide.
What is the SMILES notation for 2-chloro-4-propylbenzohydrazide?
The canonical SMILES for 2-chloro-4-propylbenzohydrazide is CCCc1ccc(C(=O)NN)c(Cl)c1.
What is the InChIKey of 2-chloro-4-propylbenzohydrazide?
The InChIKey is GHPIBXQYJNJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-3-7-4-5-8(9(11)6-7)10(14)13-12/h4-6H,2-3,12H2,1H3,(H,13,14).
What are the key properties of 2-chloro-4-propylbenzohydrazide?
2-chloro-4-propylbenzohydrazide has a molecular weight of 212.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propylbenzohydrazide is sourced from PubChem (CID 138958414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).