3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid

C19H20FNO4 — CID 119196657

IUPAC3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)cc1NC(=O)C(C)c1cccc(F)c1
InChIInChI=1S/C19H20FNO4/c1-11(2)25-17-8-7-14(19(23)24)10-16(17)21-18(22)12(3)13-5-4-6-15(20)9-13/h4-12H,1-3H3,(H,21,22)(H,23,24)
InChIKeyXAJHSSJMJKVQND-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.05
Rot. Bonds6

About 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid

3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196657) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid
PubChem CID119196657
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)cc1NC(=O)C(C)c1cccc(F)c1
InChIInChI=1S/C19H20FNO4/c1-11(2)25-17-8-7-14(19(23)24)10-16(17)21-18(22)12(3)13-5-4-6-15(20)9-13/h4-12H,1-3H3,(H,21,22)(H,23,24)
InChIKeyXAJHSSJMJKVQND-UHFFFAOYSA-N
XLogP4.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173
3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
3-[[(2R)-2-(oxan-4-yl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 129469789
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196298
(2R)-2-(3-fluorophenyl)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124569903
2-[2-(3-fluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 75383446
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid (CID 119196657) is 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(C(=O)O)cc1NC(=O)C(C)c1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid?
The InChIKey is XAJHSSJMJKVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-11(2)25-17-8-7-14(19(23)24)10-16(17)21-18(22)12(3)13-5-4-6-15(20)9-13/h4-12H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid?
3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid has a molecular weight of 345.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).