4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide

C18H22ClN3O — CID 77014310

IUPAC4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide
SMILESNNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)
InChIKeyGGKYUMTVHYXOLD-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.31
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide

4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide (PubChem CID 77014310) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide
PubChem CID77014310
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide
SMILESNNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)
InChIKeyGGKYUMTVHYXOLD-UHFFFAOYSA-N
XLogP3.31
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide (CID 77014310) is 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide is NNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide?
The InChIKey is GGKYUMTVHYXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide?
4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide has a molecular weight of 331.85 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide is sourced from PubChem (CID 77014310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).