4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid

C19H20F2N2O3 — CID 122000989

IUPAC4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O3/c20-15-6-8-17(21)14(11-15)12-22-19(26)23-16(7-9-18(24)25)10-13-4-2-1-3-5-13/h1-6,8,11,16H,7,9-10,12H2,(H,24,25)(H2,22,23,26)
InChIKeyZQYHXDJMTWVWSH-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.24
Rot. Bonds8

About 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122000989) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122000989
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O3/c20-15-6-8-17(21)14(11-15)12-22-19(26)23-16(7-9-18(24)25)10-13-4-2-1-3-5-13/h1-6,8,11,16H,7,9-10,12H2,(H,24,25)(H2,22,23,26)
InChIKeyZQYHXDJMTWVWSH-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[[2-(4-fluorophenyl)-2-hydroxypropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122028240
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021
4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122028214
4-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoylamino]-5-phenylpentanoic acid
CID 122004564
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122000989) is 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is ZQYHXDJMTWVWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-15-6-8-17(21)14(11-15)12-22-19(26)23-16(7-9-18(24)25)10-13-4-2-1-3-5-13/h1-6,8,11,16H,7,9-10,12H2,(H,24,25)(H2,22,23,26).
What are the key properties of 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 362.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122000989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).