3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid

C17H16ClNO2 — CID 141112790

IUPAC3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)C1Cc2ccccc2N1
InChIInChI=1S/C17H16ClNO2/c18-13-7-5-11(6-8-13)9-14(17(20)21)16-10-12-3-1-2-4-15(12)19-16/h1-8,14,16,19H,9-10H2,(H,20,21)
InChIKeyHNPYBWULTLDBQO-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.62
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid

3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid (PubChem CID 141112790) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid
PubChem CID141112790
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)C1Cc2ccccc2N1
InChIInChI=1S/C17H16ClNO2/c18-13-7-5-11(6-8-13)9-14(17(20)21)16-10-12-3-1-2-4-15(12)19-16/h1-8,14,16,19H,9-10H2,(H,20,21)
InChIKeyHNPYBWULTLDBQO-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418786
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 116596841
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
3-(4-chlorophenyl)-2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 60794066
(2,4-dichlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 65042297
cyclopropyl(2,3-dihydro-1H-indol-2-yl)methanol
CID 65041649
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536
3-[1-[(4-chlorophenyl)methyl]-5-[(1S)-1-(2,3-dihydro-1H-indol-2-yl)-2-oxopropoxy]-3-(2-methylpropyl)indol-2-yl]-2,2-dimethylpropanoic acid
CID 68953232
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
CID 170904406
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid (CID 141112790) is 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid is O=C(O)C(Cc1ccc(Cl)cc1)C1Cc2ccccc2N1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid?
The InChIKey is HNPYBWULTLDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-13-7-5-11(6-8-13)9-14(17(20)21)16-10-12-3-1-2-4-15(12)19-16/h1-8,14,16,19H,9-10H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid?
3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid has a molecular weight of 301.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,3-dihydro-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 141112790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).