N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

C19H21FN4O3 — CID 9432088

IUPACN-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C19H21FN4O3/c1-12-7-8-16(13(2)9-12)21-10-17(25)23-24-18(26)11-22-19(27)14-5-3-4-6-15(14)20/h3-9,21H,10-11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyGCQUNHNPHYYMPZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.43
Rot. Bonds6

About N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 9432088) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID9432088
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C19H21FN4O3/c1-12-7-8-16(13(2)9-12)21-10-17(25)23-24-18(26)11-22-19(27)14-5-3-4-6-15(14)20/h3-9,21H,10-11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyGCQUNHNPHYYMPZ-UHFFFAOYSA-N
XLogP1.43
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.43
H-Bond Donors ≤ 54
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-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-fluorophenyl)prop-2-enehydrazide
CID 9432147
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 26752505
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
N-[(2S)-1-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55937799
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (CID 9432088) is N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is Cc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccccc2F)c(C)c1.
What is the InChIKey of N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is GCQUNHNPHYYMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-7-8-16(13(2)9-12)21-10-17(25)23-24-18(26)11-22-19(27)14-5-3-4-6-15(14)20/h3-9,21H,10-11H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 372.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 9432088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).