N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

C22H26FNO2 — CID 97072133

IUPACN-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@H](C)[C@@H](O)c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C22H26FNO2/c1-15-7-5-9-18(13-15)22(11-3-4-12-22)21(26)24-16(2)20(25)17-8-6-10-19(23)14-17/h5-10,13-14,16,20,25H,3-4,11-12H2,1-2H3,(H,24,26)/t16-,20-/m1/s1
InChIKeyBBNGQKFLOSEOHM-OXQOHEQNSA-N
MW355.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 97072133) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID97072133
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC NameN-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@H](C)[C@@H](O)c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C22H26FNO2/c1-15-7-5-9-18(13-15)22(11-3-4-12-22)21(26)24-16(2)20(25)17-8-6-10-19(23)14-17/h5-10,13-14,16,20,25H,3-4,11-12H2,1-2H3,(H,24,26)/t16-,20-/m1/s1
InChIKeyBBNGQKFLOSEOHM-OXQOHEQNSA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide (CID 97072133) is N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide is Cc1cccc(C2(C(=O)N[C@H](C)[C@@H](O)c3cccc(F)c3)CCCC2)c1.
What is the InChIKey of N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is BBNGQKFLOSEOHM-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-15-7-5-9-18(13-15)22(11-3-4-12-22)21(26)24-16(2)20(25)17-8-6-10-19(23)14-17/h5-10,13-14,16,20,25H,3-4,11-12H2,1-2H3,(H,24,26)/t16-,20-/m1/s1.
What are the key properties of N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide?
N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 97072133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).