3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide

C10H14ClN3O2 — CID 116848735

IUPAC3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
SMILESCOc1ccc(C(N)CC(=O)NN)cc1Cl
InChIInChI=1S/C10H14ClN3O2/c1-16-9-3-2-6(4-7(9)11)8(12)5-10(15)14-13/h2-4,8H,5,12-13H2,1H3,(H,14,15)
InChIKeyWNJJGNRGSMRQIP-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.73
Rot. Bonds4

About 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide

3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide (PubChem CID 116848735) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
PubChem CID116848735
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
SMILESCOc1ccc(C(N)CC(=O)NN)cc1Cl
InChIInChI=1S/C10H14ClN3O2/c1-16-9-3-2-6(4-7(9)11)8(12)5-10(15)14-13/h2-4,8H,5,12-13H2,1H3,(H,14,15)
InChIKeyWNJJGNRGSMRQIP-UHFFFAOYSA-N
XLogP0.73
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664
ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
CID 54927618
3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
CID 116848774

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide?
The IUPAC name of 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide (CID 116848735) is 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide?
The canonical SMILES for 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide is COc1ccc(C(N)CC(=O)NN)cc1Cl.
What is the InChIKey of 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide?
The InChIKey is WNJJGNRGSMRQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-9-3-2-6(4-7(9)11)8(12)5-10(15)14-13/h2-4,8H,5,12-13H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide?
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide has a molecular weight of 243.69 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide is sourced from PubChem (CID 116848735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).