3-amino-4-chloro-N',N'-dimethylbenzohydrazide

C9H12ClN3O — CID 83012713

IUPAC3-amino-4-chloro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H12ClN3O/c1-13(2)12-9(14)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3,(H,12,14)
InChIKeyHPTOOERYRPNYQU-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.13
Rot. Bonds2

About 3-amino-4-chloro-N',N'-dimethylbenzohydrazide

3-amino-4-chloro-N',N'-dimethylbenzohydrazide (PubChem CID 83012713) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-amino-4-chloro-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name3-amino-4-chloro-N',N'-dimethylbenzohydrazide
PubChem CID83012713
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-amino-4-chloro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H12ClN3O/c1-13(2)12-9(14)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3,(H,12,14)
InChIKeyHPTOOERYRPNYQU-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
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CID 7968005
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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N',N'-dimethylbenzohydrazide?
The IUPAC name of 3-amino-4-chloro-N',N'-dimethylbenzohydrazide (CID 83012713) is 3-amino-4-chloro-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 3-amino-4-chloro-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 3-amino-4-chloro-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N',N'-dimethylbenzohydrazide?
The InChIKey is HPTOOERYRPNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-13(2)12-9(14)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-4-chloro-N',N'-dimethylbenzohydrazide?
3-amino-4-chloro-N',N'-dimethylbenzohydrazide has a molecular weight of 213.67 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 83012713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).