N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

C16H17BrN2O2 — CID 20896018

IUPACN-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2c2ccco2)ccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11-10-12(6-7-13(11)17)18-16(20)19-8-2-4-14(19)15-5-3-9-21-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,20)
InChIKeyDJFGWRZUEARNLE-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.72
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 20896018) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID20896018
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2c2ccco2)ccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11-10-12(6-7-13(11)17)18-16(20)19-8-2-4-14(19)15-5-3-9-21-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,20)
InChIKeyDJFGWRZUEARNLE-UHFFFAOYSA-N
XLogP4.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99354971
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
(2S)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99564424
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2R)-2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 125161346
2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 118767546

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (CID 20896018) is N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC2c2ccco2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is DJFGWRZUEARNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-10-12(6-7-13(11)17)18-16(20)19-8-2-4-14(19)15-5-3-9-21-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 20896018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).