2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid

C19H19F2NO3 — CID 122109856

IUPAC2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
SMILESCC(CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C19H19F2NO3/c1-12(6-7-13-4-2-3-5-16(13)20)19(25)22-15-9-8-14(10-18(23)24)17(21)11-15/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyJRRRWJQKVPZZJF-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.80
Rot. Bonds7

About 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid (PubChem CID 122109856) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
PubChem CID122109856
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
SMILESCC(CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C19H19F2NO3/c1-12(6-7-13-4-2-3-5-16(13)20)19(25)22-15-9-8-14(10-18(23)24)17(21)11-15/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyJRRRWJQKVPZZJF-UHFFFAOYSA-N
XLogP3.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119419271
2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109861
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 119201306
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid (CID 122109856) is 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid is CC(CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid?
The InChIKey is JRRRWJQKVPZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-12(6-7-13-4-2-3-5-16(13)20)19(25)22-15-9-8-14(10-18(23)24)17(21)11-15/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid has a molecular weight of 347.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122109856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).