ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate

C25H28F2N2O4 — CID 142146448

IUPACethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate
SMILESCC.CC(C)OC(=O)NCc1ccccc1-c1occc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C23H22F2N2O4.C2H6/c1-14(2)31-23(29)27-12-15-5-3-4-6-18(15)21-19(9-10-30-21)22(28)26-13-16-7-8-17(24)11-20(16)25;1-2/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29);1-2H3
InChIKeyBYLKZNAUNWNHJM-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.82
Rot. Bonds7

About ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate

ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate (PubChem CID 142146448) has the molecular formula C25H28F2N2O4 and a molecular weight of 458.51 g/mol. Its IUPAC name is ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate
PubChem CID142146448
Molecular FormulaC25H28F2N2O4
Molecular Weight458.51 g/mol
Exact Mass458.20
IUPAC Nameethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate
SMILESCC.CC(C)OC(=O)NCc1ccccc1-c1occc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C23H22F2N2O4.C2H6/c1-14(2)31-23(29)27-12-15-5-3-4-6-18(15)21-19(9-10-30-21)22(28)26-13-16-7-8-17(24)11-20(16)25;1-2/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29);1-2H3
InChIKeyBYLKZNAUNWNHJM-UHFFFAOYSA-N
XLogP5.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate with MolForge

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Related Compounds

phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978589
(4-fluorophenyl)methyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978511
N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide
CID 22978564
tert-butyl N-[[2-[5-[(2,4-difluorophenyl)methylcarbamoyl]-3-pyridinyl]phenyl]methyl]carbamate
CID 10182580
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 70128800
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
CID 82532955
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate?
The IUPAC name of ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate (CID 142146448) is ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate.
What is the SMILES notation for ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate?
The canonical SMILES for ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate is CC.CC(C)OC(=O)NCc1ccccc1-c1occc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate?
The InChIKey is BYLKZNAUNWNHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4.C2H6/c1-14(2)31-23(29)27-12-15-5-3-4-6-18(15)21-19(9-10-30-21)22(28)26-13-16-7-8-17(24)11-20(16)25;1-2/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29);1-2H3.
What are the key properties of ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate?
ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate has a molecular weight of 458.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 142146448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).