(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide

C10H13ClN2O2 — CID 125467780

IUPAC(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
SMILESCO[C@@H](CC(=O)NN)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c1-15-9(6-10(14)13-12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyCLMDHGHQVXVFAX-VIFPVBQESA-N
MW228.68 g/mol
LogP1.41
Rot. Bonds4

About (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide

(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide (PubChem CID 125467780) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
PubChem CID125467780
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
SMILESCO[C@@H](CC(=O)NN)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c1-15-9(6-10(14)13-12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyCLMDHGHQVXVFAX-VIFPVBQESA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
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

3-[1-(4-chlorophenyl)ethyl-methylamino]butanehydrazide
CID 55215005
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116849632
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-acetyl-5-(4-chlorophenyl)-5-methoxypentanoic acid
CID 57317935
tert-butyl N-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]carbamate
CID 153329637
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 67179417
1-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334765
propan-2-yl 2-acetyl-5-(4-chlorophenyl)-5-methoxypentanoate
CID 18370903

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide (CID 125467780) is (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide is CO[C@@H](CC(=O)NN)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide?
The InChIKey is CLMDHGHQVXVFAX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-9(6-10(14)13-12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide?
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide has a molecular weight of 228.68 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide is sourced from PubChem (CID 125467780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).