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

C23H18Cl2FNO4 — CID 58370323

IUPAC1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C23H18Cl2FNO4/c24-14-7-6-13(19(26)10-14)12-31-20-16-5-2-1-4-15(16)18(25)11-17(20)21(28)27-23(22(29)30)8-3-9-23/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H,29,30)
InChIKeyWXEOFSVUBIQSIM-UHFFFAOYSA-N
MW462.30 g/mol
LogP5.60
Rot. Bonds6

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

1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 58370323) has the molecular formula C23H18Cl2FNO4 and a molecular weight of 462.30 g/mol. Its IUPAC name is 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID58370323
Molecular FormulaC23H18Cl2FNO4
Molecular Weight462.30 g/mol
Exact Mass461.06
IUPAC Name1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C23H18Cl2FNO4/c24-14-7-6-13(19(26)10-14)12-31-20-16-5-2-1-4-15(16)18(25)11-17(20)21(28)27-23(22(29)30)8-3-9-23/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H,29,30)
InChIKeyWXEOFSVUBIQSIM-UHFFFAOYSA-N
XLogP5.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.30
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370300
1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 58370152
1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132798
1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370148
2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 58370252
[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
CID 174532360
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 24769330
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 58370323) is 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(Cl)cc1F.
What is the InChIKey of 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is WXEOFSVUBIQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FNO4/c24-14-7-6-13(19(26)10-14)12-31-20-16-5-2-1-4-15(16)18(25)11-17(20)21(28)27-23(22(29)30)8-3-9-23/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H,29,30).
What are the key properties of 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 462.30 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58370323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).