2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid

C16H15NO3 — CID 115923550

IUPAC2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
SMILESCN(C(=O)Cc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17(13-8-3-2-4-9-13)15(18)11-12-7-5-6-10-14(12)16(19)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyMMYSDRUQNCHTJS-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.59
Rot. Bonds4

About 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid

2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid (PubChem CID 115923550) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
PubChem CID115923550
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
SMILESCN(C(=O)Cc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17(13-8-3-2-4-9-13)15(18)11-12-7-5-6-10-14(12)16(19)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyMMYSDRUQNCHTJS-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]benzoic acid
CID 104601568
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
CID 104698060
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzoic acid
CID 104601429
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
CID 110773536
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
2-(2-oxobutyl)benzoic acid
CID 12758327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid (CID 115923550) is 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid is CN(C(=O)Cc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid?
The InChIKey is MMYSDRUQNCHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(13-8-3-2-4-9-13)15(18)11-12-7-5-6-10-14(12)16(19)20/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid?
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).