4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid

C24H30FNO2 — CID 118343106

IUPAC4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid
SMILESCCN(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H30FNO2/c1-7-26(16-8-9-17(22(27)28)20(25)13-16)21-14-19-18(12-15(21)2)23(3,4)10-11-24(19,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,27,28)
InChIKeyZGUSMRPEYZYOEW-UHFFFAOYSA-N
MW383.51 g/mol
LogP6.34
Rot. Bonds4

About 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid

4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid (PubChem CID 118343106) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid
PubChem CID118343106
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid
SMILESCCN(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H30FNO2/c1-7-26(16-8-9-17(22(27)28)20(25)13-16)21-14-19-18(12-15(21)2)23(3,4)10-11-24(19,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,27,28)
InChIKeyZGUSMRPEYZYOEW-UHFFFAOYSA-N
XLogP6.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid 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

Tamibarotene
CID 108143
Ro 40-6055
CID 2126
4-[2-(4,4-Dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid
CID 22971725
4-[(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)-propylamino]benzoic acid
CID 9951775
4-[Methyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10784137
4-(Dimethylamino)-1-naphthoic acid
CID 522695
4-[[(5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)carbonyl]amino]-benzoic acid
CID 10835443
4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthylamino)benzoic acid
CID 9797298
4-[Ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 9841381
2-Fluoro-4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid
CID 10044591
4-[Methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10337160
4-[Propyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10690215

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid (CID 118343106) is 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid is CCN(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid?
The InChIKey is ZGUSMRPEYZYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO2/c1-7-26(16-8-9-17(22(27)28)20(25)13-16)21-14-19-18(12-15(21)2)23(3,4)10-11-24(19,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,27,28).
What are the key properties of 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid?
4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid has a molecular weight of 383.51 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 118343106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).