N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C23H28FNO2 — CID 100664966

IUPACN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C
InChIInChI=1S/C23H28FNO2/c1-4-17(3)27-21-12-11-20(15-16(21)2)25-22(26)23(13-5-6-14-23)18-7-9-19(24)10-8-18/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyWMTQNAZXKXPLJJ-QGZVFWFLSA-N
MW369.48 g/mol
LogP5.76
Rot. Bonds6

About N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100664966) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100664966
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC NameN-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C
InChIInChI=1S/C23H28FNO2/c1-4-17(3)27-21-12-11-20(15-16(21)2)25-22(26)23(13-5-6-14-23)18-7-9-19(24)10-8-18/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyWMTQNAZXKXPLJJ-QGZVFWFLSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674701
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674689
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
methyl 2-[(2S)-butan-2-yl]oxy-5-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100749064
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683990
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 100664966) is N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is WMTQNAZXKXPLJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-4-17(3)27-21-12-11-20(15-16(21)2)25-22(26)23(13-5-6-14-23)18-7-9-19(24)10-8-18/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,26)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100664966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).