N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

C18H25FN2O — CID 119303685

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCCN1
InChIInChI=1S/C18H25FN2O/c19-15-8-6-14(7-9-15)18(10-2-1-3-11-18)13-21-17(22)16-5-4-12-20-16/h6-9,16,20H,1-5,10-13H2,(H,21,22)
InChIKeyWJIBBUSNPMSSOZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.90
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119303685) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119303685
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCCN1
InChIInChI=1S/C18H25FN2O/c19-15-8-6-14(7-9-15)18(10-2-1-3-11-18)13-21-17(22)16-5-4-12-20-16/h6-9,16,20H,1-5,10-13H2,(H,21,22)
InChIKeyWJIBBUSNPMSSOZ-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303673
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (CID 119303685) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCCN1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WJIBBUSNPMSSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-15-8-6-14(7-9-15)18(10-2-1-3-11-18)13-21-17(22)16-5-4-12-20-16/h6-9,16,20H,1-5,10-13H2,(H,21,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119303685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).