5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide

C16H13BrClFN2O3 — CID 4148078

IUPAC5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(Br)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13BrClFN2O3/c17-14-6-5-13(24-14)16(23)21(9-20-7-1-2-15(20)22)10-3-4-12(19)11(18)8-10/h3-6,8H,1-2,7,9H2
InChIKeyZDOXLQNQZSYBOO-UHFFFAOYSA-N
MW415.65 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide

5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 4148078) has the molecular formula C16H13BrClFN2O3 and a molecular weight of 415.65 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
PubChem CID4148078
Molecular FormulaC16H13BrClFN2O3
Molecular Weight415.65 g/mol
Exact Mass413.98
IUPAC Name5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(Br)o1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13BrClFN2O3/c17-14-6-5-13(24-14)16(23)21(9-20-7-1-2-15(20)22)10-3-4-12(19)11(18)8-10/h3-6,8H,1-2,7,9H2
InChIKeyZDOXLQNQZSYBOO-UHFFFAOYSA-N
XLogP4.06
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486
N-(3-chloro-4-fluorophenyl)-3,4,5-trimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3429451
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 4986891
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97337805
2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5072378

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide (CID 4148078) is 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide is O=C1CCCN1CN(C(=O)c1ccc(Br)o1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is ZDOXLQNQZSYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O3/c17-14-6-5-13(24-14)16(23)21(9-20-7-1-2-15(20)22)10-3-4-12(19)11(18)8-10/h3-6,8H,1-2,7,9H2.
What are the key properties of 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 415.65 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4148078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).