[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride

C23H20ClF2NO3 — CID 176652509

IUPAC[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
SMILES[Cl-].[NH3+]C1CCc2ccc(Oc3ccccc3-c3cccc(F)c3F)cc2C1C(=O)O
InChIInChI=1S/C23H19F2NO3.ClH/c24-18-6-3-5-16(22(18)25)15-4-1-2-7-20(15)29-14-10-8-13-9-11-19(26)21(23(27)28)17(13)12-14;/h1-8,10,12,19,21H,9,11,26H2,(H,27,28);1H
InChIKeyHOTYQADNTBKELB-UHFFFAOYSA-N
MW431.87 g/mol
LogP1.15
Rot. Bonds4

About [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride

[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride (PubChem CID 176652509) has the molecular formula C23H20ClF2NO3 and a molecular weight of 431.87 g/mol. Its IUPAC name is [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride.

Molecular Properties

Compound Name[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
PubChem CID176652509
Molecular FormulaC23H20ClF2NO3
Molecular Weight431.87 g/mol
Exact Mass431.11
IUPAC Name[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
SMILES[Cl-].[NH3+]C1CCc2ccc(Oc3ccccc3-c3cccc(F)c3F)cc2C1C(=O)O
InChIInChI=1S/C23H19F2NO3.ClH/c24-18-6-3-5-16(22(18)25)15-4-1-2-7-20(15)29-14-10-8-13-9-11-19(26)21(23(27)28)17(13)12-14;/h1-8,10,12,19,21H,9,11,26H2,(H,27,28);1H
InChIKeyHOTYQADNTBKELB-UHFFFAOYSA-N
XLogP1.15
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-carboxy-7-(8-fluoronaphthalen-1-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
CID 176652504
[1-carboxy-7-[2-(3,5-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
CID 176652490
[2-carboxy-7-[2-(2-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalen-2-yl]azanium chloride
CID 169210384
7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 175940346
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
tert-butyl N-[7-[2-(3-fluorophenyl)phenoxy]-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 175940355
2-amino-7-[2-(2,3,4,5,6-pentafluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210392
[2-carboxy-7-[2-(2,3-dichloro-5-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalen-2-yl]azanium chloride
CID 169210200
2-amino-7-[2-(3,4-difluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107703
2-amino-7-[2-(3-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107704
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003

Frequently Asked Questions

What is the IUPAC name of [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
The IUPAC name of [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride (CID 176652509) is [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride.
What is the SMILES notation for [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
The canonical SMILES for [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride is [Cl-].[NH3+]C1CCc2ccc(Oc3ccccc3-c3cccc(F)c3F)cc2C1C(=O)O.
What is the InChIKey of [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
The InChIKey is HOTYQADNTBKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO3.ClH/c24-18-6-3-5-16(22(18)25)15-4-1-2-7-20(15)29-14-10-8-13-9-11-19(26)21(23(27)28)17(13)12-14;/h1-8,10,12,19,21H,9,11,26H2,(H,27,28);1H.
What are the key properties of [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride?
[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride has a molecular weight of 431.87 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride is sourced from PubChem (CID 176652509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).