2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide

C14H17Cl2N3O3 — CID 41387806

IUPAC2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)CC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O3/c1-8(2)5-12(20)18-19-13(21)7-17-14(22)10-4-3-9(15)6-11(10)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyATSOLXKFQJTZAG-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.92
Rot. Bonds5

About 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 41387806) has the molecular formula C14H17Cl2N3O3 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID41387806
Molecular FormulaC14H17Cl2N3O3
Molecular Weight346.21 g/mol
Exact Mass345.06
IUPAC Name2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)CC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O3/c1-8(2)5-12(20)18-19-13(21)7-17-14(22)10-4-3-9(15)6-11(10)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyATSOLXKFQJTZAG-UHFFFAOYSA-N
XLogP1.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.92
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-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 36706576
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 22830639
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide (CID 41387806) is 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide is CC(C)CC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is ATSOLXKFQJTZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O3/c1-8(2)5-12(20)18-19-13(21)7-17-14(22)10-4-3-9(15)6-11(10)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 346.21 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 41387806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).