5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C24H22BrN3O4 — CID 60610299

IUPAC5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C24H22BrN3O4/c1-15-18(24(31)28-12-2-3-13-28)8-5-9-19(15)27-22(29)16-6-4-7-17(14-16)26-23(30)20-10-11-21(25)32-20/h4-11,14H,2-3,12-13H2,1H3,(H,26,30)(H,27,29)
InChIKeyWEECYRJQSYYRAB-UHFFFAOYSA-N
MW496.36 g/mol
LogP5.09
Rot. Bonds5

About 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 60610299) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID60610299
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC Name5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C24H22BrN3O4/c1-15-18(24(31)28-12-2-3-13-28)8-5-9-19(15)27-22(29)16-6-4-7-17(14-16)26-23(30)20-10-11-21(25)32-20/h4-11,14H,2-3,12-13H2,1H3,(H,26,30)(H,27,29)
InChIKeyWEECYRJQSYYRAB-UHFFFAOYSA-N
XLogP5.09
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.36
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 55868816
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 78888913
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55771323
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
CID 86955154
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 49061820
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 60610299) is 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cccc1C(=O)N1CCCC1.
What is the InChIKey of 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WEECYRJQSYYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c1-15-18(24(31)28-12-2-3-13-28)8-5-9-19(15)27-22(29)16-6-4-7-17(14-16)26-23(30)20-10-11-21(25)32-20/h4-11,14H,2-3,12-13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 496.36 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 60610299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).