N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C19H22F2N2O3 — CID 19416022

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)c(OC(F)F)c1
InChIInChI=1S/C19H22F2N2O3/c1-13-5-7-15(17(11-13)26-19(20)21)22-18(24)16-8-6-14(25-16)12-23-9-3-2-4-10-23/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,22,24)
InChIKeyBNRLPIUNLGCCLZ-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19416022) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19416022
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)c(OC(F)F)c1
InChIInChI=1S/C19H22F2N2O3/c1-13-5-7-15(17(11-13)26-19(20)21)22-18(24)16-8-6-14(25-16)12-23-9-3-2-4-10-23/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,22,24)
InChIKeyBNRLPIUNLGCCLZ-UHFFFAOYSA-N
XLogP4.43
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-4-methylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 136559576
N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461448
5-[(4-acetylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]furan-2-carboxamide
CID 19455292
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415916
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19456697
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414202
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
CID 19453001
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19416022) is N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is BNRLPIUNLGCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-13-5-7-15(17(11-13)26-19(20)21)22-18(24)16-8-6-14(25-16)12-23-9-3-2-4-10-23/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19416022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).