5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide

C22H27ClN2O4 — CID 91957682

IUPAC5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1(CN2CCCC2)CCOCC1)c1ccc(Oc2ccccc2Cl)o1
InChIInChI=1S/C22H27ClN2O4/c23-17-5-1-2-6-18(17)28-20-8-7-19(29-20)21(26)24-15-22(9-13-27-14-10-22)16-25-11-3-4-12-25/h1-2,5-8H,3-4,9-16H2,(H,24,26)
InChIKeyBKOJFIFNBZZZSH-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.35
Rot. Bonds7

About 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide

5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide (PubChem CID 91957682) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
PubChem CID91957682
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1(CN2CCCC2)CCOCC1)c1ccc(Oc2ccccc2Cl)o1
InChIInChI=1S/C22H27ClN2O4/c23-17-5-1-2-6-18(17)28-20-8-7-19(29-20)21(26)24-15-22(9-13-27-14-10-22)16-25-11-3-4-12-25/h1-2,5-8H,3-4,9-16H2,(H,24,26)
InChIKeyBKOJFIFNBZZZSH-UHFFFAOYSA-N
XLogP4.35
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenoxy)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrazole-3-carboxamide
CID 91957557
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
CID 91938782
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180839
2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957707
N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91958049
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide (CID 91957682) is 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide is O=C(NCC1(CN2CCCC2)CCOCC1)c1ccc(Oc2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide?
The InChIKey is BKOJFIFNBZZZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c23-17-5-1-2-6-18(17)28-20-8-7-19(29-20)21(26)24-15-22(9-13-27-14-10-22)16-25-11-3-4-12-25/h1-2,5-8H,3-4,9-16H2,(H,24,26).
What are the key properties of 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide?
5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide has a molecular weight of 418.92 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 91957682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).