2-(3-chloro-4-methylanilino)acetohydrazide

C9H12ClN3O — CID 865656

IUPAC2-(3-chloro-4-methylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NN)cc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6-2-3-7(4-8(6)10)12-5-9(14)13-11/h2-4,12H,5,11H2,1H3,(H,13,14)
InChIKeyFIWSPELZYOLWRJ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.05
Rot. Bonds3

About 2-(3-chloro-4-methylanilino)acetohydrazide

2-(3-chloro-4-methylanilino)acetohydrazide (PubChem CID 865656) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)acetohydrazide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)acetohydrazide
PubChem CID865656
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-(3-chloro-4-methylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NN)cc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6-2-3-7(4-8(6)10)12-5-9(14)13-11/h2-4,12H,5,11H2,1H3,(H,13,14)
InChIKeyFIWSPELZYOLWRJ-UHFFFAOYSA-N
XLogP1.05
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51178299
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
propyl 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 54816569
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820101
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 7922738
N-(4-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815837
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)acetohydrazide?
The IUPAC name of 2-(3-chloro-4-methylanilino)acetohydrazide (CID 865656) is 2-(3-chloro-4-methylanilino)acetohydrazide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)acetohydrazide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)acetohydrazide is Cc1ccc(NCC(=O)NN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)acetohydrazide?
The InChIKey is FIWSPELZYOLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-2-3-7(4-8(6)10)12-5-9(14)13-11/h2-4,12H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-methylanilino)acetohydrazide?
2-(3-chloro-4-methylanilino)acetohydrazide has a molecular weight of 213.67 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)acetohydrazide is sourced from PubChem (CID 865656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).