4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid

C17H15NO3 — CID 43386543

IUPAC4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H15NO3/c19-16(12-4-6-13(7-5-12)17(20)21)18-15-9-8-11-2-1-3-14(11)10-15/h4-10H,1-3H2,(H,18,19)(H,20,21)
InChIKeyUADPTBHAKQOKEG-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.13
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid

4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid (PubChem CID 43386543) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid
PubChem CID43386543
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H15NO3/c19-16(12-4-6-13(7-5-12)17(20)21)18-15-9-8-11-2-1-3-14(11)10-15/h4-10H,1-3H2,(H,18,19)(H,20,21)
InChIKeyUADPTBHAKQOKEG-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mefenamic Acid
CID 4044
Tamibarotene
CID 108143
Phthalanilic acid
CID 78458
3'-Methylphthalanilic acid
CID 6821
Bms753
CID 9884820
3-Acetamidobenzoic acid
CID 48847
N-(p-Amylcinnamoyl)anthranilic acid
CID 5353376
Kartogenin
CID 2826191
2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
CID 98770
4-(Benzoylamino)benzoic acid
CID 252597
N-(3,4-Xylyl)phthalamic acid
CID 295107
3-(Phenylamino)benzoic acid
CID 12850341

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid (CID 43386543) is 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid?
The InChIKey is UADPTBHAKQOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(12-4-6-13(7-5-12)17(20)21)18-15-9-8-11-2-1-3-14(11)10-15/h4-10H,1-3H2,(H,18,19)(H,20,21).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid?
4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 43386543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).