N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide

C18H18FN3O3 — CID 86976055

IUPACN-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H18FN3O3/c1-11-7-12(2)9-14(8-11)17(24)20-10-16(23)21-22-18(25)13-3-5-15(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZQEJMXKOCKDAQS-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.63
Rot. Bonds4

About N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 86976055) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID86976055
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H18FN3O3/c1-11-7-12(2)9-14(8-11)17(24)20-10-16(23)21-22-18(25)13-3-5-15(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZQEJMXKOCKDAQS-UHFFFAOYSA-N
XLogP1.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.63
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

N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
4-fluoro-N-[2-oxo-2-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 55349373
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide (CID 86976055) is N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is ZQEJMXKOCKDAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-7-12(2)9-14(8-11)17(24)20-10-16(23)21-22-18(25)13-3-5-15(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 343.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 86976055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).