4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid

C19H19F2NO4 — CID 120546950

IUPAC4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H19F2NO4/c20-19(21)26-16-8-4-7-14(12-16)18(25)22-15(9-10-17(23)24)11-13-5-2-1-3-6-13/h1-8,12,15,19H,9-11H2,(H,22,25)(H,23,24)
InChIKeyXUPVLDRYRRPWMU-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.49
Rot. Bonds9

About 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid

4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid (PubChem CID 120546950) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
PubChem CID120546950
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H19F2NO4/c20-19(21)26-16-8-4-7-14(12-16)18(25)22-15(9-10-17(23)24)11-13-5-2-1-3-6-13/h1-8,12,15,19H,9-11H2,(H,22,25)(H,23,24)
InChIKeyXUPVLDRYRRPWMU-UHFFFAOYSA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120512041
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
CID 120547139
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
5-phenyl-4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pentanoic acid
CID 120547242
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid (CID 120546950) is 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid?
The InChIKey is XUPVLDRYRRPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c20-19(21)26-16-8-4-7-14(12-16)18(25)22-15(9-10-17(23)24)11-13-5-2-1-3-6-13/h1-8,12,15,19H,9-11H2,(H,22,25)(H,23,24).
What are the key properties of 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid?
4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid has a molecular weight of 363.36 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).