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

C23H18ClF2NO4 — CID 58370300

IUPAC1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(F)cc1F
InChIInChI=1S/C23H18ClF2NO4/c24-18-11-17(21(28)27-23(22(29)30)8-3-9-23)20(16-5-2-1-4-15(16)18)31-12-13-6-7-14(25)10-19(13)26/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H,29,30)
InChIKeyYGCGNQAKCKHZDX-UHFFFAOYSA-N
MW445.85 g/mol
LogP5.09
Rot. Bonds6

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

1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 58370300) has the molecular formula C23H18ClF2NO4 and a molecular weight of 445.85 g/mol. Its IUPAC name is 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID58370300
Molecular FormulaC23H18ClF2NO4
Molecular Weight445.85 g/mol
Exact Mass445.09
IUPAC Name1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(F)cc1F
InChIInChI=1S/C23H18ClF2NO4/c24-18-11-17(21(28)27-23(22(29)30)8-3-9-23)20(16-5-2-1-4-15(16)18)31-12-13-6-7-14(25)10-19(13)26/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H,29,30)
InChIKeyYGCGNQAKCKHZDX-UHFFFAOYSA-N
XLogP5.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.85
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic 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

1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370323
1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 58370152
[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
CID 174532360
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 24769330
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
2-[[1-[(4-chloro-2-fluorophenyl)methoxy]-4-fluoronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 58370252
1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 114037063
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120530828
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
[3,5-dichloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methanol
CID 62196694

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 58370300) is 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is YGCGNQAKCKHZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO4/c24-18-11-17(21(28)27-23(22(29)30)8-3-9-23)20(16-5-2-1-4-15(16)18)31-12-13-6-7-14(25)10-19(13)26/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-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 445.85 g/mol, XLogP of 5.09, 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-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58370300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).