2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide

C13H15FN2O3 — CID 167822930

IUPAC2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide
SMILESC=C(F)C(=O)NNC(=O)CCOCc1ccccc1
InChIInChI=1S/C13H15FN2O3/c1-10(14)13(18)16-15-12(17)7-8-19-9-11-5-3-2-4-6-11/h2-6H,1,7-9H2,(H,15,17)(H,16,18)
InChIKeyOPCHVHGIAWHYPS-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.22
Rot. Bonds6

About 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide

2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide (PubChem CID 167822930) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide
PubChem CID167822930
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide
SMILESC=C(F)C(=O)NNC(=O)CCOCc1ccccc1
InChIInChI=1S/C13H15FN2O3/c1-10(14)13(18)16-15-12(17)7-8-19-9-11-5-3-2-4-6-11/h2-6H,1,7-9H2,(H,15,17)(H,16,18)
InChIKeyOPCHVHGIAWHYPS-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
N-ethylsulfonyl-3-phenylmethoxypropanamide
CID 156816974
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703
methyl 5-methylidene-2-oxo-7-phenylmethoxyheptanoate
CID 146165810
1-phenylmethoxyhexane-3,4-dione
CID 561127
N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
CID 60546156
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119363955

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide?
The IUPAC name of 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide (CID 167822930) is 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide.
What is the SMILES notation for 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide?
The canonical SMILES for 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide is C=C(F)C(=O)NNC(=O)CCOCc1ccccc1.
What is the InChIKey of 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide?
The InChIKey is OPCHVHGIAWHYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-10(14)13(18)16-15-12(17)7-8-19-9-11-5-3-2-4-6-11/h2-6H,1,7-9H2,(H,15,17)(H,16,18).
What are the key properties of 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide?
2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide has a molecular weight of 266.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide is sourced from PubChem (CID 167822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).