2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid

C19H16ClNO4 — CID 54561553

IUPAC2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1cccc2c1c(CC(=O)O)c(C)n2C(=O)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO4/c1-11-13(10-17(22)23)18-15(8-5-9-16(18)25-2)21(11)19(24)12-6-3-4-7-14(12)20/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyZQXDEMDRTIWLHU-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.93
Rot. Bonds4

About 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid

2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid (PubChem CID 54561553) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
PubChem CID54561553
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1cccc2c1c(CC(=O)O)c(C)n2C(=O)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO4/c1-11-13(10-17(22)23)18-15(8-5-9-16(18)25-2)21(11)19(24)12-6-3-4-7-14(12)20/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyZQXDEMDRTIWLHU-UHFFFAOYSA-N
XLogP3.93
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate
CID 67638409
2-[1-(5-bromothiophene-2-carbonyl)-4-chloro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 67244955
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 67244336
2-[1-(2-chlorobenzoyl)-5-methoxy-2-prop-2-enylindol-3-yl]acetic acid
CID 54217493
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-[4-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid
CID 67244452
1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene
CID 142928947
2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453578
2-[4-chloro-5-methoxy-2-methyl-1-[5-(1,1,2,2,2-pentafluoroethoxy)thiophene-2-carbonyl]indol-3-yl]acetic acid
CID 87322591
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
CID 10597071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid (CID 54561553) is 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid is COc1cccc2c1c(CC(=O)O)c(C)n2C(=O)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid?
The InChIKey is ZQXDEMDRTIWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-11-13(10-17(22)23)18-15(8-5-9-16(18)25-2)21(11)19(24)12-6-3-4-7-14(12)20/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid?
2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid has a molecular weight of 357.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 54561553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).