2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid

C24H22FNO4 — CID 110165619

IUPAC2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)C(=O)c2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H22FNO4/c1-17-6-8-18(9-7-17)14-26(15-23(27)28)24(29)19-10-12-21(13-11-19)30-16-20-4-2-3-5-22(20)25/h2-13H,14-16H2,1H3,(H,27,28)
InChIKeyGBNFAESLKIUJST-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.44
Rot. Bonds8

About 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid

2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid (PubChem CID 110165619) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid
PubChem CID110165619
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)C(=O)c2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H22FNO4/c1-17-6-8-18(9-7-17)14-26(15-23(27)28)24(29)19-10-12-21(13-11-19)30-16-20-4-2-3-5-22(20)25/h2-13H,14-16H2,1H3,(H,27,28)
InChIKeyGBNFAESLKIUJST-UHFFFAOYSA-N
XLogP4.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid
CID 155988170
ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
CID 140519890
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
2-[[4-[[2-(4-fluorophenyl)acetyl]amino]benzoyl]-[[4-[4-(4-methylphenyl)benzoyl]oxyphenyl]methyl]amino]acetic acid
CID 89285151
4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 154811127
(E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374827
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
CID 170885350
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxybenzoyl)amino]acetic acid
CID 141127915
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid (CID 110165619) is 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid is Cc1ccc(CN(CC(=O)O)C(=O)c2ccc(OCc3ccccc3F)cc2)cc1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid?
The InChIKey is GBNFAESLKIUJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-17-6-8-18(9-7-17)14-26(15-23(27)28)24(29)19-10-12-21(13-11-19)30-16-20-4-2-3-5-22(20)25/h2-13H,14-16H2,1H3,(H,27,28).
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid?
2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid has a molecular weight of 407.44 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 110165619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).