N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide

C10H10ClFN2O2 — CID 97300264

IUPACN'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide
SMILESC[C@H](Cl)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-6(11)9(15)13-14-10(16)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,15)(H,14,16)/t6-/m0/s1
InChIKeyRVACGMVKMPLCPD-LURJTMIESA-N
MW244.65 g/mol
LogP1.21
Rot. Bonds2

About N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide

N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide (PubChem CID 97300264) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide
PubChem CID97300264
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC NameN'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide
SMILESC[C@H](Cl)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-6(11)9(15)13-14-10(16)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,15)(H,14,16)/t6-/m0/s1
InChIKeyRVACGMVKMPLCPD-LURJTMIESA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
4-tert-butyl-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 5114378
N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-2-fluorobenzohydrazide
CID 95303272
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-2-fluorobenzohydrazide
CID 41248411

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide (CID 97300264) is N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide is C[C@H](Cl)C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide?
The InChIKey is RVACGMVKMPLCPD-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-6(11)9(15)13-14-10(16)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,15)(H,14,16)/t6-/m0/s1.
What are the key properties of N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide?
N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide has a molecular weight of 244.65 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 97300264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).