4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid

C20H16FNO3 — CID 169410438

IUPAC4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)
InChIKeySPDQLJLHAQECOP-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.85
Rot. Bonds6

About 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid

4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid (PubChem CID 169410438) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
PubChem CID169410438
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)
InChIKeySPDQLJLHAQECOP-UHFFFAOYSA-N
XLogP4.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
ethane;4-phenylmethoxyphthalic acid
CID 90802135
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CID 139804655
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
2-(3-propoxyanilino)benzoic acid
CID 154130973
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17059349
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid?
The IUPAC name of 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid (CID 169410438) is 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid is O=C(O)c1ccc(F)cc1Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid?
The InChIKey is SPDQLJLHAQECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid?
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid has a molecular weight of 337.35 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid is sourced from PubChem (CID 169410438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).