N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide

C20H20F2N2O2 — CID 50952194

IUPACN'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NC2(c3cc(F)ccc3F)CC2)c1C
InChIInChI=1S/C20H20F2N2O2/c1-12-4-3-5-17(13(12)2)23-18(25)11-19(26)24-20(8-9-20)15-10-14(21)6-7-16(15)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLXVIPNNBGSNOJL-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.72
Rot. Bonds5

About N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide

N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide (PubChem CID 50952194) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide
PubChem CID50952194
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NC2(c3cc(F)ccc3F)CC2)c1C
InChIInChI=1S/C20H20F2N2O2/c1-12-4-3-5-17(13(12)2)23-18(25)11-19(26)24-20(8-9-20)15-10-14(21)6-7-16(15)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLXVIPNNBGSNOJL-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
CID 24681848
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55996807
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661544
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287746
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide?
The IUPAC name of N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide (CID 50952194) is N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide?
The canonical SMILES for N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)NC2(c3cc(F)ccc3F)CC2)c1C.
What is the InChIKey of N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide?
The InChIKey is LXVIPNNBGSNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-12-4-3-5-17(13(12)2)23-18(25)11-19(26)24-20(8-9-20)15-10-14(21)6-7-16(15)22/h3-7,10H,8-9,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide?
N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide has a molecular weight of 358.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide is sourced from PubChem (CID 50952194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).