4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide

C21H24FNO3 — CID 100682300

IUPAC4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C21H24FNO3/c1-15(2)26-17-9-7-16(8-10-17)23-20(24)21(11-13-25-14-12-21)18-5-3-4-6-19(18)22/h3-10,15H,11-14H2,1-2H3,(H,23,24)
InChIKeyORXKAKUCNPOTPF-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.30
Rot. Bonds5

About 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide

4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide (PubChem CID 100682300) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
PubChem CID100682300
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C21H24FNO3/c1-15(2)26-17-9-7-16(8-10-17)23-20(24)21(11-13-25-14-12-21)18-5-3-4-6-19(18)22/h3-10,15H,11-14H2,1-2H3,(H,23,24)
InChIKeyORXKAKUCNPOTPF-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100682380
4-(2-fluorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100748983
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
N-(4-butan-2-yloxyphenyl)-4-phenyloxane-4-carboxamide
CID 133187943
N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide
CID 94646439
4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
CID 100682604
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide (CID 100682300) is 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide is CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide?
The InChIKey is ORXKAKUCNPOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-15(2)26-17-9-7-16(8-10-17)23-20(24)21(11-13-25-14-12-21)18-5-3-4-6-19(18)22/h3-10,15H,11-14H2,1-2H3,(H,23,24).
What are the key properties of 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide?
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100682300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).