cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide

C19H26FNO2 — CID 91786829

IUPACcis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCCC1)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C19H26FNO2/c20-17-9-2-1-8-16(17)19(10-3-4-11-19)13-21-18(23)14-6-5-7-15(22)12-14/h1-2,8-9,14-15,22H,3-7,10-13H2,(H,21,23)/t14-,15+/m0/s1
InChIKeyPBPMUJHOMBUZGM-LSDHHAIUSA-N
MW319.42 g/mol
LogP3.30
Rot. Bonds4

About cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide

cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide (PubChem CID 91786829) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide
PubChem CID91786829
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Namecis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCCC1)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C19H26FNO2/c20-17-9-2-1-8-16(17)19(10-3-4-11-19)13-21-18(23)14-6-5-7-15(22)12-14/h1-2,8-9,14-15,22H,3-7,10-13H2,(H,21,23)/t14-,15+/m0/s1
InChIKeyPBPMUJHOMBUZGM-LSDHHAIUSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide (CID 91786829) is cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide is O=C(NCC1(c2ccccc2F)CCCC1)[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is PBPMUJHOMBUZGM-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26FNO2/c20-17-9-2-1-8-16(17)19(10-3-4-11-19)13-21-18(23)14-6-5-7-15(22)12-14/h1-2,8-9,14-15,22H,3-7,10-13H2,(H,21,23)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide?
cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 91786829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).