N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide

C17H16Cl2N4O3 — CID 3836427

IUPACN-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H16Cl2N4O3/c18-11-6-7-14(13(19)10-11)21-15(24)8-9-16(25)22-23-17(26)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,24)(H,22,25)(H2,20,23,26)
InChIKeyBLFZOKNWQOEBJT-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.57
Rot. Bonds5

About N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide

N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide (PubChem CID 3836427) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
PubChem CID3836427
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H16Cl2N4O3/c18-11-6-7-14(13(19)10-11)21-15(24)8-9-16(25)22-23-17(26)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,24)(H,22,25)(H2,20,23,26)
InChIKeyBLFZOKNWQOEBJT-UHFFFAOYSA-N
XLogP3.57
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 831821
CID 831821
CID 86934
CID 86934
CID 3638630
CID 3638630
CID 3146135
CID 3146135
CID 717795
CID 717795
CID 2213691
CID 2213691
CID 2822663
CID 2822663
CID 3832858
CID 3832858
CID 146579457
CID 146579457
CID 5222531
CID 5222531
CID 2063982
CID 2063982
CID 3575473
CID 3575473

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide (CID 3836427) is N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide is O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
The InChIKey is BLFZOKNWQOEBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c18-11-6-7-14(13(19)10-11)21-15(24)8-9-16(25)22-23-17(26)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,24)(H,22,25)(H2,20,23,26).
What are the key properties of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide has a molecular weight of 395.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide is sourced from PubChem (CID 3836427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).