cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide

C19H20FNO2 — CID 161335491

IUPACcis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)C1
InChIInChI=1S/C19H20FNO2/c20-18-4-2-1-3-16(18)12-23-17-9-7-13(8-10-17)14-5-6-15(11-14)19(21)22/h1-4,7-10,14-15H,5-6,11-12H2,(H2,21,22)/t14-,15+/m0/s1
InChIKeyWVLPJLKDGRWCBP-LSDHHAIUSA-N
MW313.37 g/mol
LogP3.77
Rot. Bonds5

About cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 161335491) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID161335491
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namecis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)C1
InChIInChI=1S/C19H20FNO2/c20-18-4-2-1-3-16(18)12-23-17-9-7-13(8-10-17)14-5-6-15(11-14)19(21)22/h1-4,7-10,14-15H,5-6,11-12H2,(H2,21,22)/t14-,15+/m0/s1
InChIKeyWVLPJLKDGRWCBP-LSDHHAIUSA-N
XLogP3.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide (CID 161335491) is cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide is NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)C1.
What is the InChIKey of cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is WVLPJLKDGRWCBP-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-18-4-2-1-3-16(18)12-23-17-9-7-13(8-10-17)14-5-6-15(11-14)19(21)22/h1-4,7-10,14-15H,5-6,11-12H2,(H2,21,22)/t14-,15+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 161335491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).