3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid

C17H17NO3 — CID 43452749

IUPAC3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C17H17NO3/c1-11(2)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(10-12)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXEMAIDPXKPJMKR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.76
Rot. Bonds4

About 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid

3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid (PubChem CID 43452749) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
PubChem CID43452749
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C17H17NO3/c1-11(2)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(10-12)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXEMAIDPXKPJMKR-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid (CID 43452749) is 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid is CC(C)c1ccccc1NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid?
The InChIKey is XEMAIDPXKPJMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(2)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(10-12)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid?
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).