6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide

C20H13F2N3O4 — CID 137256011

IUPAC6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3cc(F)ccc3c2)c(-c2noc(=O)[nH]2)cc1F
InChIInChI=1S/C20H13F2N3O4/c1-28-17-9-16(14(8-15(17)22)18-24-20(27)29-25-18)23-19(26)12-3-2-11-7-13(21)5-4-10(11)6-12/h2-9H,1H3,(H,23,26)(H,24,25,27)
InChIKeyATBCAYGOWWLFJL-UHFFFAOYSA-N
MW397.34 g/mol
LogP3.72
Rot. Bonds4

About 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide

6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 137256011) has the molecular formula C20H13F2N3O4 and a molecular weight of 397.34 g/mol. Its IUPAC name is 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide
PubChem CID137256011
Molecular FormulaC20H13F2N3O4
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC Name6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3cc(F)ccc3c2)c(-c2noc(=O)[nH]2)cc1F
InChIInChI=1S/C20H13F2N3O4/c1-28-17-9-16(14(8-15(17)22)18-24-20(27)29-25-18)23-19(26)12-3-2-11-7-13(21)5-4-10(11)6-12/h2-9H,1H3,(H,23,26)(H,24,25,27)
InChIKeyATBCAYGOWWLFJL-UHFFFAOYSA-N
XLogP3.72
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide
CID 135895153
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
CID 120857322
3-amino-N-(2,5-difluorophenyl)-5-methoxybenzamide
CID 78985193
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660653
2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide (CID 137256011) is 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide is COc1cc(NC(=O)c2ccc3cc(F)ccc3c2)c(-c2noc(=O)[nH]2)cc1F.
What is the InChIKey of 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is ATBCAYGOWWLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O4/c1-28-17-9-16(14(8-15(17)22)18-24-20(27)29-25-18)23-19(26)12-3-2-11-7-13(21)5-4-10(11)6-12/h2-9H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide?
6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 397.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-fluoro-5-methoxy-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 137256011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).