N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide

C12H16ClN3O2 — CID 8540470

IUPACN'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
SMILESCC(=O)NNC(=O)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c1-9(17)14-15-12(18)8-16(2)7-10-3-5-11(13)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyIWGANLWTEWBLBG-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.94
Rot. Bonds4

About N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide

N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide (PubChem CID 8540470) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
PubChem CID8540470
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
SMILESCC(=O)NNC(=O)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c1-9(17)14-15-12(18)8-16(2)7-10-3-5-11(13)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyIWGANLWTEWBLBG-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide
CID 8540987
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 87013292
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
methyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 40710844
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide?
The IUPAC name of N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide (CID 8540470) is N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide is CC(=O)NNC(=O)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide?
The InChIKey is IWGANLWTEWBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-9(17)14-15-12(18)8-16(2)7-10-3-5-11(13)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide?
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide has a molecular weight of 269.73 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide is sourced from PubChem (CID 8540470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).