N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide

C22H24ClF2NO3 — CID 167456360

IUPACN-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
SMILESCC(C)c1ccccc1C1(C(=O)Nc2ccc(Cl)cc2OC(F)F)CCOCC1
InChIInChI=1S/C22H24ClF2NO3/c1-14(2)16-5-3-4-6-17(16)22(9-11-28-12-10-22)20(27)26-18-8-7-15(23)13-19(18)29-21(24)25/h3-8,13-14,21H,9-12H2,1-2H3,(H,26,27)
InChIKeySZNLRYMOZPWDCL-UHFFFAOYSA-N
MW423.89 g/mol
LogP5.75
Rot. Bonds6

About N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide

N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide (PubChem CID 167456360) has the molecular formula C22H24ClF2NO3 and a molecular weight of 423.89 g/mol. Its IUPAC name is N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
PubChem CID167456360
Molecular FormulaC22H24ClF2NO3
Molecular Weight423.89 g/mol
Exact Mass423.14
IUPAC NameN-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
SMILESCC(C)c1ccccc1C1(C(=O)Nc2ccc(Cl)cc2OC(F)F)CCOCC1
InChIInChI=1S/C22H24ClF2NO3/c1-14(2)16-5-3-4-6-17(16)22(9-11-28-12-10-22)20(27)26-18-8-7-15(23)13-19(18)29-21(24)25/h3-8,13-14,21H,9-12H2,1-2H3,(H,26,27)
InChIKeySZNLRYMOZPWDCL-UHFFFAOYSA-N
XLogP5.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.89
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456311
4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100749545
4-(2-fluorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100748983
1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100747375
1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 167456210
4-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-4-(2-propan-2-ylphenyl)cyclohexane-1-sulfinic acid
CID 167456151
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923
N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265780
N-(4-methoxy-6-propyl-3-pyridinyl)-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456144
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
N-(6-chloro-4-methoxy-3-pyridinyl)-3,3-dimethyl-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456287

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide (CID 167456360) is N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide is CC(C)c1ccccc1C1(C(=O)Nc2ccc(Cl)cc2OC(F)F)CCOCC1.
What is the InChIKey of N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide?
The InChIKey is SZNLRYMOZPWDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF2NO3/c1-14(2)16-5-3-4-6-17(16)22(9-11-28-12-10-22)20(27)26-18-8-7-15(23)13-19(18)29-21(24)25/h3-8,13-14,21H,9-12H2,1-2H3,(H,26,27).
What are the key properties of N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide?
N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide has a molecular weight of 423.89 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 167456360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).