N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

C27H29FN2O4 — CID 5103992

IUPACN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2)o1
InChIInChI=1S/C27H29FN2O4/c1-20-9-14-25(34-20)18-29(16-21-10-12-23(28)13-11-21)26(31)19-30(17-24-8-5-15-33-24)27(32)22-6-3-2-4-7-22/h2-4,6-7,9-14,24H,5,8,15-19H2,1H3
InChIKeyUFIQZYZAYPFRHB-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.58
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 5103992) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID5103992
Molecular FormulaC27H29FN2O4
Molecular Weight464.54 g/mol
Exact Mass464.21
IUPAC NameN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2)o1
InChIInChI=1S/C27H29FN2O4/c1-20-9-14-25(34-20)18-29(16-21-10-12-23(28)13-11-21)26(31)19-30(17-24-8-5-15-33-24)27(32)22-6-3-2-4-7-22/h2-4,6-7,9-14,24H,5,8,15-19H2,1H3
InChIKeyUFIQZYZAYPFRHB-UHFFFAOYSA-N
XLogP4.58
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5052075
2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3430030
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 5155730
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]dodecanamide
CID 98397338
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3444284
2-[(4-cyanophenyl)carbamoyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 93109943
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 5099361
2-[(2,4-dimethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5083013
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[octylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 42773240
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93109942
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 5011647

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 5103992) is N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2)o1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UFIQZYZAYPFRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-20-9-14-25(34-20)18-29(16-21-10-12-23(28)13-11-21)26(31)19-30(17-24-8-5-15-33-24)27(32)22-6-3-2-4-7-22/h2-4,6-7,9-14,24H,5,8,15-19H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 464.54 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 5103992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).