4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid

C22H16Cl2N2O3 — CID 19076613

IUPAC4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid
SMILESNC1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)O)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C22H16Cl2N2O3/c23-15-9-10-19-17(11-15)22(25,16-3-1-2-4-18(16)24)21(29)26(19)12-13-5-7-14(8-6-13)20(27)28/h1-11H,12,25H2,(H,27,28)
InChIKeyJHNHLNFGKJJAOW-UHFFFAOYSA-N
MW427.29 g/mol
LogP4.44
Rot. Bonds4

About 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid

4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid (PubChem CID 19076613) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid
PubChem CID19076613
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid
SMILESNC1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)O)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C22H16Cl2N2O3/c23-15-9-10-19-17(11-15)22(25,16-3-1-2-4-18(16)24)21(29)26(19)12-13-5-7-14(8-6-13)20(27)28/h1-11H,12,25H2,(H,27,28)
InChIKeyJHNHLNFGKJJAOW-UHFFFAOYSA-N
XLogP4.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

(3S)-5-chloro-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one
CID 40875410
1-benzyl-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-chloro-3-hydroxyindol-2-one
CID 15999842
(3S)-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one
CID 40875319
1-benzyl-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxyindol-2-one
CID 2976468
4-[[2-(4-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 67234010
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 7106116
2-chloro-5-[[(1R,2S)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 53246913
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874961
5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2925747
1-benzyl-5-chloro-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3306555
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218
CID 162408532
CID 162408532

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid (CID 19076613) is 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid is NC1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)O)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid?
The InChIKey is JHNHLNFGKJJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c23-15-9-10-19-17(11-15)22(25,16-3-1-2-4-18(16)24)21(29)26(19)12-13-5-7-14(8-6-13)20(27)28/h1-11H,12,25H2,(H,27,28).
What are the key properties of 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid?
4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid has a molecular weight of 427.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-5-chloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 19076613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).