6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid

C15H19F2NO4 — CID 119220006

IUPAC6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO4/c16-15(17)22-12-7-5-11(6-8-12)10-13(19)18-9-3-1-2-4-14(20)21/h5-8,15H,1-4,9-10H2,(H,18,19)(H,20,21)
InChIKeyGFJZSCWRVUNGMY-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.59
Rot. Bonds10

About 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid

6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid (PubChem CID 119220006) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
PubChem CID119220006
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO4/c16-15(17)22-12-7-5-11(6-8-12)10-13(19)18-9-3-1-2-4-14(20)21/h5-8,15H,1-4,9-10H2,(H,18,19)(H,20,21)
InChIKeyGFJZSCWRVUNGMY-UHFFFAOYSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
CID 107318607
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid (CID 119220006) is 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid?
The InChIKey is GFJZSCWRVUNGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c16-15(17)22-12-7-5-11(6-8-12)10-13(19)18-9-3-1-2-4-14(20)21/h5-8,15H,1-4,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid?
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid is sourced from PubChem (CID 119220006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).