N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide

C27H30FN3O3 — CID 46052561

IUPACN-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCCN1CCCCC1
InChIInChI=1S/C27H30FN3O3/c28-23-7-4-6-22(18-23)20-31(27(33)25-8-5-17-34-25)24-11-9-21(10-12-24)19-26(32)29-13-16-30-14-2-1-3-15-30/h4-12,17-18H,1-3,13-16,19-20H2,(H,29,32)
InChIKeyUVFWFJMXPWCMOE-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.41
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide

N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide (PubChem CID 46052561) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
PubChem CID46052561
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCCN1CCCCC1
InChIInChI=1S/C27H30FN3O3/c28-23-7-4-6-22(18-23)20-31(27(33)25-8-5-17-34-25)24-11-9-21(10-12-24)19-26(32)29-13-16-30-14-2-1-3-15-30/h4-12,17-18H,1-3,13-16,19-20H2,(H,29,32)
InChIKeyUVFWFJMXPWCMOE-UHFFFAOYSA-N
XLogP4.41
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46052597
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 42852835
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 46046558

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide (CID 46052561) is N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCCN1CCCCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
The InChIKey is UVFWFJMXPWCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c28-23-7-4-6-22(18-23)20-31(27(33)25-8-5-17-34-25)24-11-9-21(10-12-24)19-26(32)29-13-16-30-14-2-1-3-15-30/h4-12,17-18H,1-3,13-16,19-20H2,(H,29,32).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46052561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).