N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide

C18H16ClF2NO2 — CID 60582532

IUPACN-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C18H16ClF2NO2/c19-15-11-14(21)5-6-16(15)22-17(23)18(7-9-24-10-8-18)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2,(H,22,23)
InChIKeyNTVVUFPIAXZYJK-UHFFFAOYSA-N
MW351.78 g/mol
LogP4.31
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide

N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 60582532) has the molecular formula C18H16ClF2NO2 and a molecular weight of 351.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID60582532
Molecular FormulaC18H16ClF2NO2
Molecular Weight351.78 g/mol
Exact Mass351.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C18H16ClF2NO2/c19-15-11-14(21)5-6-16(15)22-17(23)18(7-9-24-10-8-18)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2,(H,22,23)
InChIKeyNTVVUFPIAXZYJK-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134017760
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2-chloro-4-nitrophenyl)-4-phenyloxane-4-carboxamide
CID 2952053
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718
4-(4-fluorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-4-carboxamide
CID 120881030
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
4-(4-fluorophenyl)-N-(1,2-thiazol-3-yl)oxane-4-carboxamide
CID 136558315
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203
N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582638

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide (CID 60582532) is N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide is O=C(Nc1ccc(F)cc1Cl)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is NTVVUFPIAXZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO2/c19-15-11-14(21)5-6-16(15)22-17(23)18(7-9-24-10-8-18)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2,(H,22,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 351.78 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 60582532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).