(2R)-2-(3,4-dichloroanilino)propanehydrazide

C9H11Cl2N3O — CID 946902

IUPAC(2R)-2-(3,4-dichloroanilino)propanehydrazide
SMILESC[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NN
InChIInChI=1S/C9H11Cl2N3O/c1-5(9(15)14-12)13-6-2-3-7(10)8(11)4-6/h2-5,13H,12H2,1H3,(H,14,15)/t5-/m1/s1
InChIKeyJHOFHSOJIWLDEZ-RXMQYKEDSA-N
MW248.11 g/mol
LogP1.78
Rot. Bonds3

About (2R)-2-(3,4-dichloroanilino)propanehydrazide

(2R)-2-(3,4-dichloroanilino)propanehydrazide (PubChem CID 946902) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is (2R)-2-(3,4-dichloroanilino)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3,4-dichloroanilino)propanehydrazide
PubChem CID946902
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name(2R)-2-(3,4-dichloroanilino)propanehydrazide
SMILESC[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NN
InChIInChI=1S/C9H11Cl2N3O/c1-5(9(15)14-12)13-6-2-3-7(10)8(11)4-6/h2-5,13H,12H2,1H3,(H,14,15)/t5-/m1/s1
InChIKeyJHOFHSOJIWLDEZ-RXMQYKEDSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.78
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

(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(4S)-4-[[(2R)-2-(3,4-dichloroanilino)propanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 70160149
(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 7072993
(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide
CID 10193267
2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
CID 18380247
3-amino-4-[2-(3,4-dichloroanilino)propanoyl]oxolan-2-one
CID 141000619
methyl (2S,3S)-2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]-3-methylpentanoate;methyl 2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]pentanoate
CID 67579943
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichloroanilino)propanehydrazide?
The IUPAC name of (2R)-2-(3,4-dichloroanilino)propanehydrazide (CID 946902) is (2R)-2-(3,4-dichloroanilino)propanehydrazide.
What is the SMILES notation for (2R)-2-(3,4-dichloroanilino)propanehydrazide?
The canonical SMILES for (2R)-2-(3,4-dichloroanilino)propanehydrazide is C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NN.
What is the InChIKey of (2R)-2-(3,4-dichloroanilino)propanehydrazide?
The InChIKey is JHOFHSOJIWLDEZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-5(9(15)14-12)13-6-2-3-7(10)8(11)4-6/h2-5,13H,12H2,1H3,(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichloroanilino)propanehydrazide?
(2R)-2-(3,4-dichloroanilino)propanehydrazide has a molecular weight of 248.11 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichloroanilino)propanehydrazide is sourced from PubChem (CID 946902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).