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

C26H28FN3O3 — CID 46052353

IUPACN-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)NCCN1CCCC1
InChIInChI=1S/C26H28FN3O3/c27-22-9-5-21(6-10-22)19-30(26(32)24-4-3-17-33-24)23-11-7-20(8-12-23)18-25(31)28-13-16-29-14-1-2-15-29/h3-12,17H,1-2,13-16,18-19H2,(H,28,31)
InChIKeyYIYPELLAZYUNJM-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.02
Rot. Bonds9

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

N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide (PubChem CID 46052353) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
PubChem CID46052353
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)NCCN1CCCC1
InChIInChI=1S/C26H28FN3O3/c27-22-9-5-21(6-10-22)19-30(26(32)24-4-3-17-33-24)23-11-7-20(8-12-23)18-25(31)28-13-16-29-14-1-2-15-29/h3-12,17H,1-2,13-16,18-19H2,(H,28,31)
InChIKeyYIYPELLAZYUNJM-UHFFFAOYSA-N
XLogP4.02
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052561
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46052597
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
ethyl 1-[2-[4-[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]phenyl]acetyl]piperidine-4-carboxylate
CID 46046650
N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34608906
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 42852835
2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46052748
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 46045640

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide (CID 46052353) is N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)NCCN1CCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
The InChIKey is YIYPELLAZYUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c27-22-9-5-21(6-10-22)19-30(26(32)24-4-3-17-33-24)23-11-7-20(8-12-23)18-25(31)28-13-16-29-14-1-2-15-29/h3-12,17H,1-2,13-16,18-19H2,(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46052353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).