3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid

C16H16N2O3 — CID 106760605

IUPAC3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
SMILESCN(C)c1ccccc1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-18(2)14-9-4-3-8-13(14)17-15(19)11-6-5-7-12(10-11)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)
InChIKeyPZJFHGIZIZEPGH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.70
Rot. Bonds4

About 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid

3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid (PubChem CID 106760605) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
PubChem CID106760605
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
SMILESCN(C)c1ccccc1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-18(2)14-9-4-3-8-13(14)17-15(19)11-6-5-7-12(10-11)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21)
InChIKeyPZJFHGIZIZEPGH-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
CID 107951985
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
3-[(2,4,5-trifluorophenyl)carbamoyl]benzoic acid
CID 62811130
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid (CID 106760605) is 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid is CN(C)c1ccccc1NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid?
The InChIKey is PZJFHGIZIZEPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(2)14-9-4-3-8-13(14)17-15(19)11-6-5-7-12(10-11)16(20)21/h3-10H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid?
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 106760605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).