(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide

C21H25FN2O6 — CID 7910894

IUPAC(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O6/c1-13(30-16-8-6-5-7-15(16)22)21(26)24-23-19(25)10-9-14-11-17(27-2)20(29-4)18(12-14)28-3/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyYUGIOHXEGKKIBI-ZDUSSCGKSA-N
MW420.44 g/mol
LogP2.40
Rot. Bonds9

About (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide

(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide (PubChem CID 7910894) has the molecular formula C21H25FN2O6 and a molecular weight of 420.44 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
PubChem CID7910894
Molecular FormulaC21H25FN2O6
Molecular Weight420.44 g/mol
Exact Mass420.17
IUPAC Name(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O6/c1-13(30-16-8-6-5-7-15(16)22)21(26)24-23-19(25)10-9-14-11-17(27-2)20(29-4)18(12-14)28-3/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyYUGIOHXEGKKIBI-ZDUSSCGKSA-N
XLogP2.40
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46569105
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
CID 51980854

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide (CID 7910894) is (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide is COc1cc(CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
The InChIKey is YUGIOHXEGKKIBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H25FN2O6/c1-13(30-16-8-6-5-7-15(16)22)21(26)24-23-19(25)10-9-14-11-17(27-2)20(29-4)18(12-14)28-3/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide has a molecular weight of 420.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 7910894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).