4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide

C18H17Cl2N3O3 — CID 3511916

IUPAC4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2N3O3/c1-11-14(20)3-2-4-15(11)21-16(24)9-10-17(25)22-23-18(26)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyKLJKXKVUDWSFMG-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.48
Rot. Bonds5

About 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide

4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide (PubChem CID 3511916) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
PubChem CID3511916
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2N3O3/c1-11-14(20)3-2-4-15(11)21-16(24)9-10-17(25)22-23-18(26)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyKLJKXKVUDWSFMG-UHFFFAOYSA-N
XLogP3.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.48
H-Bond Donors ≤ 53
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-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
4-[2-(3-bromo-4-tert-butylbenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3400795
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 3434978

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide (CID 3511916) is 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
The InChIKey is KLJKXKVUDWSFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-11-14(20)3-2-4-15(11)21-16(24)9-10-17(25)22-23-18(26)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide has a molecular weight of 394.26 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 3511916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).