N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide

C22H21FN2O3 — CID 44526172

IUPACN-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)C2)cc1)c1ccco1
InChIInChI=1S/C22H21FN2O3/c23-17-5-3-16(4-6-17)14-25-12-11-20(15-25)28-19-9-7-18(8-10-19)24-22(26)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26)
InChIKeyUTFCCRMIUBBRKK-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.32
Rot. Bonds6

About N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide

N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide (PubChem CID 44526172) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide
PubChem CID44526172
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)C2)cc1)c1ccco1
InChIInChI=1S/C22H21FN2O3/c23-17-5-3-16(4-6-17)14-25-12-11-20(15-25)28-19-9-7-18(8-10-19)24-22(26)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26)
InChIKeyUTFCCRMIUBBRKK-UHFFFAOYSA-N
XLogP4.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-methylphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526153
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide
CID 44526164
2-[4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125441615
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 53235333
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide (CID 44526172) is N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide is O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)C2)cc1)c1ccco1.
What is the InChIKey of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide?
The InChIKey is UTFCCRMIUBBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-17-5-3-16(4-6-17)14-25-12-11-20(15-25)28-19-9-7-18(8-10-19)24-22(26)21-2-1-13-27-21/h1-10,13,20H,11-12,14-15H2,(H,24,26).
What are the key properties of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide?
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 44526172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).