N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C23H15ClF4N4O2 — CID 59813342

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1nccc(Oc2ccc3c(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cccc3c2F)n1
InChIInChI=1S/C23H15ClF4N4O2/c1-29-22-30-10-9-19(32-22)34-18-8-6-13-14(20(18)25)3-2-4-15(13)21(33)31-12-5-7-17(24)16(11-12)23(26,27)28/h2-11H,1H3,(H,31,33)(H,29,30,32)
InChIKeyXVWFYFUUSODWGS-UHFFFAOYSA-N
MW490.84 g/mol
LogP6.53
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813342) has the molecular formula C23H15ClF4N4O2 and a molecular weight of 490.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID59813342
Molecular FormulaC23H15ClF4N4O2
Molecular Weight490.84 g/mol
Exact Mass490.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1nccc(Oc2ccc3c(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cccc3c2F)n1
InChIInChI=1S/C23H15ClF4N4O2/c1-29-22-30-10-9-19(32-22)34-18-8-6-13-14(20(18)25)3-2-4-15(13)21(33)31-12-5-7-17(24)16(11-12)23(26,27)28/h2-11H,1H3,(H,31,33)(H,29,30,32)
InChIKeyXVWFYFUUSODWGS-UHFFFAOYSA-N
XLogP6.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.84
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide
CID 59813842
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 67406449
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7930859
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]oxyphenyl]urea
CID 24997950
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11640796
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
3-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 71542471

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 59813342) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is CNc1nccc(Oc2ccc3c(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cccc3c2F)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is XVWFYFUUSODWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O2/c1-29-22-30-10-9-19(32-22)34-18-8-6-13-14(20(18)25)3-2-4-15(13)21(33)31-12-5-7-17(24)16(11-12)23(26,27)28/h2-11H,1H3,(H,31,33)(H,29,30,32).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).