N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide

C23H30FN3O3 — CID 51964743

IUPACN-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C(C)C)CC1
InChIInChI=1S/C23H30FN3O3/c1-15(2)21(27-9-6-16(3)7-10-27)13-25-23(29)19-5-4-18(24)12-20(19)26-22(28)17-8-11-30-14-17/h4-5,8,11-12,14-16,21H,6-7,9-10,13H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyHLHRWIZLEXEHIF-NRFANRHFSA-N
MW415.51 g/mol
LogP4.16
Rot. Bonds7

About N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide

N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide (PubChem CID 51964743) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide
PubChem CID51964743
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC NameN-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C(C)C)CC1
InChIInChI=1S/C23H30FN3O3/c1-15(2)21(27-9-6-16(3)7-10-27)13-25-23(29)19-5-4-18(24)12-20(19)26-22(28)17-8-11-30-14-17/h4-5,8,11-12,14-16,21H,6-7,9-10,13H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyHLHRWIZLEXEHIF-NRFANRHFSA-N
XLogP4.16
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94177612
N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide
CID 97076051
N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide
CID 71938630
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658240
N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide
CID 71892546
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
2-iodo-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-4-nitrobenzamide
CID 60621704
2-methyl-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-4-nitrobenzamide
CID 60616193
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39113519
N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 56808571

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide (CID 51964743) is N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide is CC1CCN([C@@H](CNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C(C)C)CC1.
What is the InChIKey of N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide?
The InChIKey is HLHRWIZLEXEHIF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-15(2)21(27-9-6-16(3)7-10-27)13-25-23(29)19-5-4-18(24)12-20(19)26-22(28)17-8-11-30-14-17/h4-5,8,11-12,14-16,21H,6-7,9-10,13H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide?
N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 51964743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).