N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide

C12H16Cl2N2O — CID 178067840

IUPACN-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)N(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,3)11(17)16(15)7-8-4-5-9(13)6-10(8)14/h4-6H,7,15H2,1-3H3
InChIKeyYVQDNFJNWPGWCD-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.24
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide

N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide (PubChem CID 178067840) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
PubChem CID178067840
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)N(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,3)11(17)16(15)7-8-4-5-9(13)6-10(8)14/h4-6H,7,15H2,1-3H3
InChIKeyYVQDNFJNWPGWCD-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
5-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116571231
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide
CID 134122442
2-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 13034852
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide (CID 178067840) is N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide is CC(C)(C)C(=O)N(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide?
The InChIKey is YVQDNFJNWPGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-12(2,3)11(17)16(15)7-8-4-5-9(13)6-10(8)14/h4-6H,7,15H2,1-3H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide?
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide has a molecular weight of 275.18 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 178067840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).