3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide

C26H28FN3O2 — CID 42702942

IUPAC3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCCc1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C26H28FN3O2/c1-20(22-11-6-3-7-12-22)30(26(32)29-24-14-8-13-23(27)19-24)18-16-25(31)28-17-15-21-9-4-2-5-10-21/h2-14,19-20H,15-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyPNOBFZLLOSFQQG-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.17
Rot. Bonds9

About 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide

3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 42702942) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID42702942
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCCc1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C26H28FN3O2/c1-20(22-11-6-3-7-12-22)30(26(32)29-24-14-8-13-23(27)19-24)18-16-25(31)28-17-15-21-9-4-2-5-10-21/h2-14,19-20H,15-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyPNOBFZLLOSFQQG-UHFFFAOYSA-N
XLogP5.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
CID 42702946
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
1-[(4-tert-butylphenyl)methyl]-3-(3-fluorophenyl)-1-(1-phenylethyl)urea
CID 42697504
N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
CID 42698745
3-[(3-cyanophenyl)carbamoyl-(1-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 42698753
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
CID 47081834
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
CID 46342788

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide (CID 42702942) is 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide is CC(c1ccccc1)N(CCC(=O)NCCc1ccccc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is PNOBFZLLOSFQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-20(22-11-6-3-7-12-22)30(26(32)29-24-14-8-13-23(27)19-24)18-16-25(31)28-17-15-21-9-4-2-5-10-21/h2-14,19-20H,15-18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide?
3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 433.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42702942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).