4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid

C21H24F2N2O3 — CID 122027679

IUPAC4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C21H24F2N2O3/c22-19(23)15-25(14-17-9-5-2-6-10-17)21(28)24-18(11-12-20(26)27)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,24,28)(H,26,27)
InChIKeyOIMLZIIFVMLNQX-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.94
Rot. Bonds10

About 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027679) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027679
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C21H24F2N2O3/c22-19(23)15-25(14-17-9-5-2-6-10-17)21(28)24-18(11-12-20(26)27)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,24,28)(H,26,27)
InChIKeyOIMLZIIFVMLNQX-UHFFFAOYSA-N
XLogP3.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid 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

4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[(4-cyanophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027296
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122027679) is 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N(Cc1ccccc1)CC(F)F.
What is the InChIKey of 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is OIMLZIIFVMLNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c22-19(23)15-25(14-17-9-5-2-6-10-17)21(28)24-18(11-12-20(26)27)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,24,28)(H,26,27).
What are the key properties of 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 390.43 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).