2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid

C17H13Cl2NO3 — CID 10315838

IUPAC2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(Cc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c18-13-6-5-10(8-14(13)19)7-12-11-3-1-2-4-15(11)20(17(12)23)9-16(21)22/h1-6,8,12H,7,9H2,(H,21,22)
InChIKeyAJPROLABJSJVQL-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.75
Rot. Bonds4

About 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid

2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid (PubChem CID 10315838) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid
PubChem CID10315838
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(Cc2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c18-13-6-5-10(8-14(13)19)7-12-11-3-1-2-4-15(11)20(17(12)23)9-16(21)22/h1-6,8,12H,7,9H2,(H,21,22)
InChIKeyAJPROLABJSJVQL-UHFFFAOYSA-N
XLogP3.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
2-[4-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid
CID 54250334
2-cyano-N-(3,4-dichlorophenyl)-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4977383
3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3H-indol-2-one
CID 12043741
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
N-(2-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4560928
2-[3-[(3-chloro-4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458270
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 53044238
N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4528380
(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 6141040
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid (CID 10315838) is 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid is O=C(O)CN1C(=O)C(Cc2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid?
The InChIKey is AJPROLABJSJVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c18-13-6-5-10(8-14(13)19)7-12-11-3-1-2-4-15(11)20(17(12)23)9-16(21)22/h1-6,8,12H,7,9H2,(H,21,22).
What are the key properties of 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid?
2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid has a molecular weight of 350.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid is sourced from PubChem (CID 10315838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).