4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid

C19H21F2NO3 — CID 120512041

IUPAC4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C19H21F2NO3/c20-19(21)25-17-8-4-7-15(12-17)13-22-16(9-10-18(23)24)11-14-5-2-1-3-6-14/h1-8,12,16,19,22H,9-11,13H2,(H,23,24)
InChIKeyWFZNZFDHULKRHF-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.85
Rot. Bonds10

About 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid

4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid (PubChem CID 120512041) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
PubChem CID120512041
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C19H21F2NO3/c20-19(21)25-17-8-4-7-15(12-17)13-22-16(9-10-18(23)24)11-14-5-2-1-3-6-14/h1-8,12,16,19,22H,9-11,13H2,(H,23,24)
InChIKeyWFZNZFDHULKRHF-UHFFFAOYSA-N
XLogP3.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511969
4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
CID 120546950
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid (CID 120512041) is 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1cccc(OC(F)F)c1.
What is the InChIKey of 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid?
The InChIKey is WFZNZFDHULKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c20-19(21)25-17-8-4-7-15(12-17)13-22-16(9-10-18(23)24)11-14-5-2-1-3-6-14/h1-8,12,16,19,22H,9-11,13H2,(H,23,24).
What are the key properties of 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid?
4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid has a molecular weight of 349.38 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120512041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).