4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid

C16H16FNO3 — CID 107907694

IUPAC4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
SMILESCOc1ccccc1N(C)Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C16H16FNO3/c1-18(14-5-3-4-6-15(14)21-2)10-11-9-12(17)7-8-13(11)16(19)20/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFBXRLBUXDDVAJP-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.17
Rot. Bonds5

About 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid

4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid (PubChem CID 107907694) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
PubChem CID107907694
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
SMILESCOc1ccccc1N(C)Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C16H16FNO3/c1-18(14-5-3-4-6-15(14)21-2)10-11-9-12(17)7-8-13(11)16(19)20/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFBXRLBUXDDVAJP-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
2-bromo-3-fluoro-4-(2-methoxy-N-methylanilino)benzoic acid
CID 107540192
3-[(N,2-dimethylanilino)methyl]-4-methoxybenzoic acid
CID 62018600
4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776
2-ethyl-4-fluorobenzoic acid
CID 22101376
4-methoxy-3-[(N-methylanilino)methyl]benzoic acid
CID 62016912
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid (CID 107907694) is 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid is COc1ccccc1N(C)Cc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid?
The InChIKey is FBXRLBUXDDVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-18(14-5-3-4-6-15(14)21-2)10-11-9-12(17)7-8-13(11)16(19)20/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid?
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid has a molecular weight of 289.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid is sourced from PubChem (CID 107907694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).