[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate

C23H19ClFNO4 — CID 174532360

IUPAC[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
SMILESO=COC1(NC(=O)c2cc(Cl)c3ccccc3c2OCc2ccc(F)cc2)CCC1
InChIInChI=1S/C23H19ClFNO4/c24-20-12-19(22(28)26-23(30-14-27)10-3-11-23)21(18-5-2-1-4-17(18)20)29-13-15-6-8-16(25)9-7-15/h1-2,4-9,12,14H,3,10-11,13H2,(H,26,28)
InChIKeyCWGLWHOJNVXONP-UHFFFAOYSA-N
MW427.86 g/mol
LogP4.99
Rot. Bonds7

About [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate

[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate (PubChem CID 174532360) has the molecular formula C23H19ClFNO4 and a molecular weight of 427.86 g/mol. Its IUPAC name is [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate.

Molecular Properties

Compound Name[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
PubChem CID174532360
Molecular FormulaC23H19ClFNO4
Molecular Weight427.86 g/mol
Exact Mass427.10
IUPAC Name[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
SMILESO=COC1(NC(=O)c2cc(Cl)c3ccccc3c2OCc2ccc(F)cc2)CCC1
InChIInChI=1S/C23H19ClFNO4/c24-20-12-19(22(28)26-23(30-14-27)10-3-11-23)21(18-5-2-1-4-17(18)20)29-13-15-6-8-16(25)9-7-15/h1-2,4-9,12,14H,3,10-11,13H2,(H,26,28)
InChIKeyCWGLWHOJNVXONP-UHFFFAOYSA-N
XLogP4.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 58370152
1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370300
1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370323
4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
CID 174546186
1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370148
2-[[4-chloro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11648395
2-[[4-chloro-1-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132876
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
3-[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4687135
N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
CID 174532511
(NZ)-N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968463
N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
CID 66701260

Frequently Asked Questions

What is the IUPAC name of [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate?
The IUPAC name of [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate (CID 174532360) is [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate.
What is the SMILES notation for [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate?
The canonical SMILES for [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate is O=COC1(NC(=O)c2cc(Cl)c3ccccc3c2OCc2ccc(F)cc2)CCC1.
What is the InChIKey of [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate?
The InChIKey is CWGLWHOJNVXONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO4/c24-20-12-19(22(28)26-23(30-14-27)10-3-11-23)21(18-5-2-1-4-17(18)20)29-13-15-6-8-16(25)9-7-15/h1-2,4-9,12,14H,3,10-11,13H2,(H,26,28).
What are the key properties of [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate?
[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate has a molecular weight of 427.86 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate is sourced from PubChem (CID 174532360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).