2-[4-(dimethylcarbamoyl)anilino]benzoic acid

C16H16N2O3 — CID 51066170

IUPAC2-[4-(dimethylcarbamoyl)anilino]benzoic acid
SMILESCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-18(2)15(19)11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)16(20)21/h3-10,17H,1-2H3,(H,20,21)
InChIKeyUWPMNZZFBZEZCE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.83
Rot. Bonds4

About 2-[4-(dimethylcarbamoyl)anilino]benzoic acid

2-[4-(dimethylcarbamoyl)anilino]benzoic acid (PubChem CID 51066170) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)anilino]benzoic acid
PubChem CID51066170
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[4-(dimethylcarbamoyl)anilino]benzoic acid
SMILESCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-18(2)15(19)11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)16(20)21/h3-10,17H,1-2H3,(H,20,21)
InChIKeyUWPMNZZFBZEZCE-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[4-(benzylcarbamoyl)anilino]benzoic acid
CID 51066167
2-[4-(diethylamino)anilino]benzoic acid
CID 63539200
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-(4-ethoxyanilino)benzoic acid
CID 15247418
sodium;2-anilinobenzoic acid;formate
CID 174516679
N,N-dimethyl-2-(2-methylanilino)benzamide
CID 11402568
2-(4-pentoxycarbonylanilino)benzoic acid
CID 44521001
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)anilino]benzoic acid?
The IUPAC name of 2-[4-(dimethylcarbamoyl)anilino]benzoic acid (CID 51066170) is 2-[4-(dimethylcarbamoyl)anilino]benzoic acid.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)anilino]benzoic acid?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)anilino]benzoic acid is CN(C)C(=O)c1ccc(Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)anilino]benzoic acid?
The InChIKey is UWPMNZZFBZEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(2)15(19)11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)16(20)21/h3-10,17H,1-2H3,(H,20,21).
What are the key properties of 2-[4-(dimethylcarbamoyl)anilino]benzoic acid?
2-[4-(dimethylcarbamoyl)anilino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)anilino]benzoic acid is sourced from PubChem (CID 51066170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).