2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide

C20H21ClFN3O4 — CID 55786575

IUPAC2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
SMILESCCc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C20H21ClFN3O4/c1-2-13-5-3-4-6-17(13)29-12-19(27)25-24-18(26)9-10-23-20(28)15-8-7-14(22)11-16(15)21/h3-8,11H,2,9-10,12H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyWOKAMQRFIBEGEI-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.39
Rot. Bonds8

About 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55786575) has the molecular formula C20H21ClFN3O4 and a molecular weight of 421.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
PubChem CID55786575
Molecular FormulaC20H21ClFN3O4
Molecular Weight421.86 g/mol
Exact Mass421.12
IUPAC Name2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
SMILESCCc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C20H21ClFN3O4/c1-2-13-5-3-4-6-17(13)29-12-19(27)25-24-18(26)9-10-23-20(28)15-8-7-14(22)11-16(15)21/h3-8,11H,2,9-10,12H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyWOKAMQRFIBEGEI-UHFFFAOYSA-N
XLogP2.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.39
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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Related Compounds

2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107
2,5-dichloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108542215
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51146468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide (CID 55786575) is 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide is CCc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is WOKAMQRFIBEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O4/c1-2-13-5-3-4-6-17(13)29-12-19(27)25-24-18(26)9-10-23-20(28)15-8-7-14(22)11-16(15)21/h3-8,11H,2,9-10,12H2,1H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 421.86 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55786575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).