2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid

C19H17Cl2NO4 — CID 70373889

IUPAC2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid
SMILESO=C(NC1CCc2c(cccc2C(O)C(=O)O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2NO4/c20-15-7-4-11(9-16(15)21)18(24)22-12-5-6-13-10(8-12)2-1-3-14(13)17(23)19(25)26/h1-4,7,9,12,17,23H,5-6,8H2,(H,22,24)(H,25,26)
InChIKeyOBIRLPPURUGFSJ-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.40
Rot. Bonds4

About 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid

2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid (PubChem CID 70373889) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid
PubChem CID70373889
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid
SMILESO=C(NC1CCc2c(cccc2C(O)C(=O)O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2NO4/c20-15-7-4-11(9-16(15)21)18(24)22-12-5-6-13-10(8-12)2-1-3-14(13)17(23)19(25)26/h1-4,7,9,12,17,23H,5-6,8H2,(H,22,24)(H,25,26)
InChIKeyOBIRLPPURUGFSJ-UHFFFAOYSA-N
XLogP3.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid (CID 70373889) is 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid is O=C(NC1CCc2c(cccc2C(O)C(=O)O)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid?
The InChIKey is OBIRLPPURUGFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c20-15-7-4-11(9-16(15)21)18(24)22-12-5-6-13-10(8-12)2-1-3-14(13)17(23)19(25)26/h1-4,7,9,12,17,23H,5-6,8H2,(H,22,24)(H,25,26).
What are the key properties of 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid?
2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid has a molecular weight of 394.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 70373889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).