N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide

C23H26F2N2O2 — CID 60615360

IUPACN-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCC(NC(=O)CCc1cccc(F)c1)C1CC1
InChIInChI=1S/C23H26F2N2O2/c24-19-5-1-3-16(13-19)7-11-22(28)26-15-21(18-9-10-18)27-23(29)12-8-17-4-2-6-20(25)14-17/h1-6,13-14,18,21H,7-12,15H2,(H,26,28)(H,27,29)
InChIKeyDDXBZNPWWAFGBB-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.54
Rot. Bonds10

About N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide

N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide (PubChem CID 60615360) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
PubChem CID60615360
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC NameN-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCC(NC(=O)CCc1cccc(F)c1)C1CC1
InChIInChI=1S/C23H26F2N2O2/c24-19-5-1-3-16(13-19)7-11-22(28)26-15-21(18-9-10-18)27-23(29)12-8-17-4-2-6-20(25)14-17/h1-6,13-14,18,21H,7-12,15H2,(H,26,28)(H,27,29)
InChIKeyDDXBZNPWWAFGBB-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
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N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
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N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
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3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
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N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
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N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
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3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
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CID 127122417

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide (CID 60615360) is N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)NCC(NC(=O)CCc1cccc(F)c1)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is DDXBZNPWWAFGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c24-19-5-1-3-16(13-19)7-11-22(28)26-15-21(18-9-10-18)27-23(29)12-8-17-4-2-6-20(25)14-17/h1-6,13-14,18,21H,7-12,15H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide?
N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 400.47 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 60615360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).