N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide

C13H17FN2O2 — CID 47141193

IUPACN'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c1-3-9(2)13(18)16-15-12(17)8-10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHVSGDVPPUZAAQB-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.56
Rot. Bonds4

About N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide

N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide (PubChem CID 47141193) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide
PubChem CID47141193
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c1-3-9(2)13(18)16-15-12(17)8-10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHVSGDVPPUZAAQB-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
1-[[2-(4-fluorophenyl)acetyl]amino]-3-methylthiourea
CID 8789219
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60543893
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide (CID 47141193) is N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide is CCC(C)C(=O)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide?
The InChIKey is HVSGDVPPUZAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-9(2)13(18)16-15-12(17)8-10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide?
N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide has a molecular weight of 252.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide is sourced from PubChem (CID 47141193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).