4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid

C16H14FNO3 — CID 104698060

IUPAC4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
SMILESCN(C(=O)Cc1ccccc1F)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FNO3/c1-18(13-8-6-11(7-9-13)16(20)21)15(19)10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyDASGGNQUAICWFT-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.73
Rot. Bonds4

About 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid

4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid (PubChem CID 104698060) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
PubChem CID104698060
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
SMILESCN(C(=O)Cc1ccccc1F)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FNO3/c1-18(13-8-6-11(7-9-13)16(20)21)15(19)10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyDASGGNQUAICWFT-UHFFFAOYSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
4-[methyl-(2-phenylsulfanylacetyl)amino]benzoic acid
CID 104698113
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid
CID 18618377
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]benzoic acid
CID 104698196
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
4-[(6-amino-4,4-dimethylhexanoyl)-methylamino]benzoic acid
CID 104698742

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid?
The IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid (CID 104698060) is 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid?
The canonical SMILES for 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid is CN(C(=O)Cc1ccccc1F)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid?
The InChIKey is DASGGNQUAICWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-18(13-8-6-11(7-9-13)16(20)21)15(19)10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid?
4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid is sourced from PubChem (CID 104698060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).