N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C22H27FN2O2 — CID 131924608

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C22H27FN2O2/c23-18-7-5-17(6-8-18)22(11-1-2-12-22)16-24-21(26)20-10-9-19(27-20)15-25-13-3-4-14-25/h5-10H,1-4,11-16H2,(H,24,26)
InChIKeyFKWBHIRLYOJEKG-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.26
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131924608) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131924608
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C22H27FN2O2/c23-18-7-5-17(6-8-18)22(11-1-2-12-22)16-24-21(26)20-10-9-19(27-20)15-25-13-3-4-14-25/h5-10H,1-4,11-16H2,(H,24,26)
InChIKeyFKWBHIRLYOJEKG-UHFFFAOYSA-N
XLogP4.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-oxo-1-pyridinyl)methyl]-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 36598751
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[(2-oxo-1-pyridinyl)methyl]-N-[(1-phenylcyclopropyl)methyl]furan-2-carboxamide
CID 33284170
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273
5-(methoxymethyl)-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 86918294
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 25268331
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131924608) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is FKWBHIRLYOJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-18-7-5-17(6-8-18)22(11-1-2-12-22)16-24-21(26)20-10-9-19(27-20)15-25-13-3-4-14-25/h5-10H,1-4,11-16H2,(H,24,26).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131924608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).