N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide

C21H17F3N2O3 — CID 27813982

IUPACN'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O3/c1-13(29-18-11-8-14-4-2-3-5-16(14)12-18)19(27)25-26-20(28)15-6-9-17(10-7-15)21(22,23)24/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1
InChIKeyOJMJNTBLUUPFMY-ZDUSSCGKSA-N
MW402.37 g/mol
LogP4.09
Rot. Bonds4

About N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide

N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide (PubChem CID 27813982) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
PubChem CID27813982
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O3/c1-13(29-18-11-8-14-4-2-3-5-16(14)12-18)19(27)25-26-20(28)15-6-9-17(10-7-15)21(22,23)24/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1
InChIKeyOJMJNTBLUUPFMY-ZDUSSCGKSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
CID 60579946
4-(cyclopropylmethoxy)-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 60572558
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875
4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4940315
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 134011377
N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide (CID 27813982) is N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide is C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide?
The InChIKey is OJMJNTBLUUPFMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-13(29-18-11-8-14-4-2-3-5-16(14)12-18)19(27)25-26-20(28)15-6-9-17(10-7-15)21(22,23)24/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1.
What are the key properties of N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide?
N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide has a molecular weight of 402.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 27813982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).