3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid

C19H19F2NO4 — CID 120541324

IUPAC3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H19F2NO4/c1-12(18(24)25)10-13-2-6-15(7-3-13)22-17(23)11-14-4-8-16(9-5-14)26-19(20)21/h2-9,12,19H,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyDVQDXFSLABUYGT-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.73
Rot. Bonds8

About 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid

3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 120541324) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID120541324
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H19F2NO4/c1-12(18(24)25)10-13-2-6-15(7-3-13)22-17(23)11-14-4-8-16(9-5-14)26-19(20)21/h2-9,12,19H,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyDVQDXFSLABUYGT-UHFFFAOYSA-N
XLogP3.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid
CID 120540878
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide
CID 9405238
2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120540582
(2S)-3-[4-(difluoromethoxy)phenyl]-2-(methylamino)propanoic acid
CID 146563114
3-[4-[[2-(2,6-dimethoxyphenyl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540927
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337
(2R)-2-methyl-3-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]propanoic acid
CID 129401449
2-[4-[(2S)-2-carboxypropyl]phenoxy]propanedioic acid
CID 71228186

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid (CID 120541324) is 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid is CC(Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1)C(=O)O.
What is the InChIKey of 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is DVQDXFSLABUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-12(18(24)25)10-13-2-6-15(7-3-13)22-17(23)11-14-4-8-16(9-5-14)26-19(20)21/h2-9,12,19H,10-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid?
3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 363.36 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 120541324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).