N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C18H18ClN3O4 — CID 4790945

IUPACN-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O4/c19-14-8-4-5-9-15(14)26-12-17(24)22-21-16(23)10-11-20-18(25)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyMVJPZORKRICIDA-UHFFFAOYSA-N
MW375.81 g/mol
LogP1.69
Rot. Bonds7

About N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4790945) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4790945
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O4/c19-14-8-4-5-9-15(14)26-12-17(24)22-21-16(23)10-11-20-18(25)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyMVJPZORKRICIDA-UHFFFAOYSA-N
XLogP1.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 4790945) is N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is MVJPZORKRICIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-14-8-4-5-9-15(14)26-12-17(24)22-21-16(23)10-11-20-18(25)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 375.81 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4790945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).