N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide

C18H18ClN3O4 — CID 4793816

IUPACN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O4/c1-26-15-8-7-13(19)11-14(15)18(25)22-21-16(23)9-10-20-17(24)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyFFPPOBWHRYYEOJ-UHFFFAOYSA-N
MW375.81 g/mol
LogP1.93
Rot. Bonds6

About N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide

N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4793816) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4793816
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O4/c1-26-15-8-7-13(19)11-14(15)18(25)22-21-16(23)9-10-20-17(24)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyFFPPOBWHRYYEOJ-UHFFFAOYSA-N
XLogP1.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 51.93
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-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 4793816) is N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide is COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is FFPPOBWHRYYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-26-15-8-7-13(19)11-14(15)18(25)22-21-16(23)9-10-20-17(24)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 375.81 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4793816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).