4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide

C20H19ClFN5O2 — CID 56568346

IUPAC4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c1
InChIInChI=1S/C20H19ClFN5O2/c1-13-24-25-26-27(13)16-6-7-17(22)18(12-16)23-19(28)20(8-10-29-11-9-20)14-2-4-15(21)5-3-14/h2-7,12H,8-11H2,1H3,(H,23,28)
InChIKeyOUUBJKHMEKRTDA-UHFFFAOYSA-N
MW415.86 g/mol
LogP3.45
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide

4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide (PubChem CID 56568346) has the molecular formula C20H19ClFN5O2 and a molecular weight of 415.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide
PubChem CID56568346
Molecular FormulaC20H19ClFN5O2
Molecular Weight415.86 g/mol
Exact Mass415.12
IUPAC Name4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c1
InChIInChI=1S/C20H19ClFN5O2/c1-13-24-25-26-27(13)16-6-7-17(22)18(12-16)23-19(28)20(8-10-29-11-9-20)14-2-4-15(21)5-3-14/h2-7,12H,8-11H2,1H3,(H,23,28)
InChIKeyOUUBJKHMEKRTDA-UHFFFAOYSA-N
XLogP3.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 55813866
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
(2S)-2-ethylsulfanyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-methylbutanamide
CID 95616798
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 55993279
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 56568228
N-(cyclopropylcarbamoyl)-2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]acetamide
CID 154748238
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56532758
N-[1-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 56571805
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide (CID 56568346) is 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide is Cc1nnnn1-c1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide?
The InChIKey is OUUBJKHMEKRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O2/c1-13-24-25-26-27(13)16-6-7-17(22)18(12-16)23-19(28)20(8-10-29-11-9-20)14-2-4-15(21)5-3-14/h2-7,12H,8-11H2,1H3,(H,23,28).
What are the key properties of 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide?
4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide has a molecular weight of 415.86 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 56568346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).