N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide

C24H24FN3O3 — CID 58867676

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4F)o3)cc2)C1
InChIInChI=1S/C24H24FN3O3/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)26-24(30)22-12-11-21(31-22)23(29)19-5-3-4-6-20(19)25/h3-12,18H,13-15H2,1-2H3,(H,26,30)
InChIKeyPXPOBCRSOUHZHD-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide (PubChem CID 58867676) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide
PubChem CID58867676
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4F)o3)cc2)C1
InChIInChI=1S/C24H24FN3O3/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)26-24(30)22-12-11-21(31-22)23(29)19-5-3-4-6-20(19)25/h3-12,18H,13-15H2,1-2H3,(H,26,30)
InChIKeyPXPOBCRSOUHZHD-UHFFFAOYSA-N
XLogP4.04
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide
CID 58866897
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142931412
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-fluoro-4-phenoxybenzamide
CID 21105606
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(5E)-7,7,7-trifluoro-3-methylhepta-1,5-dien-4-yl]furan-2-carboxamide;ethane
CID 142931076
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(3-fluoro-4-pyridinyl)benzamide
CID 58866428
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 58867127
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-phenoxy-3-(trifluoromethyl)benzamide
CID 58867681

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide (CID 58867676) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4F)o3)cc2)C1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide?
The InChIKey is PXPOBCRSOUHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)26-24(30)22-12-11-21(31-22)23(29)19-5-3-4-6-20(19)25/h3-12,18H,13-15H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide is sourced from PubChem (CID 58867676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).