1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid

C24H21ClFNO4 — CID 24769203

IUPAC1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCCc1ccc(F)cc1
InChIInChI=1S/C24H21ClFNO4/c25-20-14-19(22(28)27-24(23(29)30)11-3-12-24)21(18-5-2-1-4-17(18)20)31-13-10-15-6-8-16(26)9-7-15/h1-2,4-9,14H,3,10-13H2,(H,27,28)(H,29,30)
InChIKeyGGDOPNHQVWRPTL-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.99
Rot. Bonds7

About 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 24769203) has the molecular formula C24H21ClFNO4 and a molecular weight of 441.89 g/mol. Its IUPAC name is 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID24769203
Molecular FormulaC24H21ClFNO4
Molecular Weight441.89 g/mol
Exact Mass441.11
IUPAC Name1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCCc1ccc(F)cc1
InChIInChI=1S/C24H21ClFNO4/c25-20-14-19(22(28)27-24(23(29)30)11-3-12-24)21(18-5-2-1-4-17(18)20)31-13-10-15-6-8-16(26)9-7-15/h1-2,4-9,14H,3,10-13H2,(H,27,28)(H,29,30)
InChIKeyGGDOPNHQVWRPTL-UHFFFAOYSA-N
XLogP4.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 24769203) is 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCCc1ccc(F)cc1.
What is the InChIKey of 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is GGDOPNHQVWRPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFNO4/c25-20-14-19(22(28)27-24(23(29)30)11-3-12-24)21(18-5-2-1-4-17(18)20)31-13-10-15-6-8-16(26)9-7-15/h1-2,4-9,14H,3,10-13H2,(H,27,28)(H,29,30).
What are the key properties of 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 441.89 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-1-[2-(4-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 24769203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).