2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid

C16H15NO3 — CID 12558883

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
SMILESCc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c1-11-6-8-13(9-7-11)17-15(18)10-12-4-2-3-5-14(12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyHDYWJHHUWWPAAX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid

2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid (PubChem CID 12558883) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
PubChem CID12558883
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
SMILESCc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c1-11-6-8-13(9-7-11)17-15(18)10-12-4-2-3-5-14(12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyHDYWJHHUWWPAAX-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl]benzoic acid
CID 56761664
2-[2-[4-[di(propan-2-yl)carbamoyl]anilino]-2-oxoethyl]benzoic acid
CID 10022786
2-(2-cyanophenyl)-N-(4-methylphenyl)acetamide
CID 134694438
ethyl 2-(2-anilino-2-oxoethyl)benzoate
CID 23621943
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
2-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]benzoic acid
CID 56762074
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid
CID 56763571
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
2-[2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
CID 135634456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid (CID 12558883) is 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid is Cc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid?
The InChIKey is HDYWJHHUWWPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-6-8-13(9-7-11)17-15(18)10-12-4-2-3-5-14(12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid?
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 12558883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).