4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide

C20H22ClN3O4 — CID 7971592

IUPAC4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClN3O4/c1-2-3-12-28-17-10-6-14(7-11-17)19(26)22-13-18(25)23-24-20(27)15-4-8-16(21)9-5-15/h4-11H,2-3,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyXOPGHBVXWBCDGD-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.71
Rot. Bonds8

About 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide

4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 7971592) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID7971592
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClN3O4/c1-2-3-12-28-17-10-6-14(7-11-17)19(26)22-13-18(25)23-24-20(27)15-4-8-16(21)9-5-15/h4-11H,2-3,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyXOPGHBVXWBCDGD-UHFFFAOYSA-N
XLogP2.71
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 24540209
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide (CID 7971592) is 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is XOPGHBVXWBCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-2-3-12-28-17-10-6-14(7-11-17)19(26)22-13-18(25)23-24-20(27)15-4-8-16(21)9-5-15/h4-11H,2-3,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 403.87 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7971592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).