1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide

C19H27FN2O — CID 119534325

IUPAC1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC1CCNC1)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H27FN2O/c20-17-6-4-5-16(13-17)19(9-2-1-3-10-19)18(23)22-12-8-15-7-11-21-14-15/h4-6,13,15,21H,1-3,7-12,14H2,(H,22,23)
InChIKeyNGQZPNHPJFWZOG-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide

1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide (PubChem CID 119534325) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
PubChem CID119534325
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC1CCNC1)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H27FN2O/c20-17-6-4-5-16(13-17)19(9-2-1-3-10-19)18(23)22-12-8-15-7-11-21-14-15/h4-6,13,15,21H,1-3,7-12,14H2,(H,22,23)
InChIKeyNGQZPNHPJFWZOG-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide (CID 119534325) is 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide is O=C(NCCC1CCNC1)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is NGQZPNHPJFWZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-17-6-4-5-16(13-17)19(9-2-1-3-10-19)18(23)22-12-8-15-7-11-21-14-15/h4-6,13,15,21H,1-3,7-12,14H2,(H,22,23).
What are the key properties of 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119534325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).