N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide

C12H16ClN3O2 — CID 94279919

IUPACN'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
SMILESNCCC(=O)NNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-10-4-2-1-3-9(10)5-6-11(17)15-16-12(18)7-8-14/h1-4H,5-8,14H2,(H,15,17)(H,16,18)
InChIKeyOIFIEESKVALUCJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.77
Rot. Bonds5

About N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide

N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide (PubChem CID 94279919) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
PubChem CID94279919
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
SMILESNCCC(=O)NNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-10-4-2-1-3-9(10)5-6-11(17)15-16-12(18)7-8-14/h1-4H,5-8,14H2,(H,15,17)(H,16,18)
InChIKeyOIFIEESKVALUCJ-UHFFFAOYSA-N
XLogP0.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179158
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
3-(2-chlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 17179387
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide?
The IUPAC name of N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide (CID 94279919) is N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide.
What is the SMILES notation for N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide?
The canonical SMILES for N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide is NCCC(=O)NNC(=O)CCc1ccccc1Cl.
What is the InChIKey of N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide?
The InChIKey is OIFIEESKVALUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-4-2-1-3-9(10)5-6-11(17)15-16-12(18)7-8-14/h1-4H,5-8,14H2,(H,15,17)(H,16,18).
What are the key properties of N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide?
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide has a molecular weight of 269.73 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide is sourced from PubChem (CID 94279919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).