N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C21H24FN3O3 — CID 9402546

IUPACN-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C21H24FN3O3/c1-13(2)12-18(23-19(26)15-9-5-4-8-14(15)3)21(28)25-24-20(27)16-10-6-7-11-17(16)22/h4-11,13,18H,12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyRSHGAPBMZSNSGX-GOSISDBHSA-N
MW385.44 g/mol
LogP2.74
Rot. Bonds6

About N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 9402546) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID9402546
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C21H24FN3O3/c1-13(2)12-18(23-19(26)15-9-5-4-8-14(15)3)21(28)25-24-20(27)16-10-6-7-11-17(16)22/h4-11,13,18H,12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyRSHGAPBMZSNSGX-GOSISDBHSA-N
XLogP2.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.74
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-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55468080
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N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9425695
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
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2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 3909200
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 9402546) is N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is RSHGAPBMZSNSGX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-13(2)12-18(23-19(26)15-9-5-4-8-14(15)3)21(28)25-24-20(27)16-10-6-7-11-17(16)22/h4-11,13,18H,12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 385.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 9402546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).