N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide

C13H17ClN2O2 — CID 24543034

IUPACN'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9(2)7-12(17)15-16-13(18)8-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKGOGKNBLARRYPM-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.08
Rot. Bonds4

About N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide

N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide (PubChem CID 24543034) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
PubChem CID24543034
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9(2)7-12(17)15-16-13(18)8-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKGOGKNBLARRYPM-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
2-(2-chlorophenyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100630978
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43175926
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
CID 113012194
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide?
The IUPAC name of N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide (CID 24543034) is N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide?
The canonical SMILES for N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide is CC(C)CC(=O)NNC(=O)Cc1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide?
The InChIKey is KGOGKNBLARRYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(2)7-12(17)15-16-13(18)8-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide?
N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide has a molecular weight of 268.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide is sourced from PubChem (CID 24543034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).