5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide

C16H17BrN2O3 — CID 6496960

IUPAC5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESCOc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H17BrN2O3/c1-21-11-4-5-13(19-8-2-3-9-19)12(10-11)18-16(20)14-6-7-15(17)22-14/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyUSWFPPFVMLRJKT-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide

5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 6496960) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
PubChem CID6496960
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESCOc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H17BrN2O3/c1-21-11-4-5-13(19-8-2-3-9-19)12(10-11)18-16(20)14-6-7-15(17)22-14/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyUSWFPPFVMLRJKT-UHFFFAOYSA-N
XLogP3.90
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
5-(4-chlorophenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 17354423
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 175010773
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane
CID 142511638
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide (CID 6496960) is 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide is COc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is USWFPPFVMLRJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-21-11-4-5-13(19-8-2-3-9-19)12(10-11)18-16(20)14-6-7-15(17)22-14/h4-7,10H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 6496960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).