5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide

C24H23BrN2O3 — CID 55953671

IUPAC5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-16-4-2-5-18(14-16)20-6-3-13-27(20)23(28)15-17-7-9-19(10-8-17)26-24(29)21-11-12-22(25)30-21/h2,4-5,7-12,14,20H,3,6,13,15H2,1H3,(H,26,29)
InChIKeyBANGHPAPYZSZSW-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.51
Rot. Bonds5

About 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55953671) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55953671
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-16-4-2-5-18(14-16)20-6-3-13-27(20)23(28)15-17-7-9-19(10-8-17)26-24(29)21-11-12-22(25)30-21/h2,4-5,7-12,14,20H,3,6,13,15H2,1H3,(H,26,29)
InChIKeyBANGHPAPYZSZSW-UHFFFAOYSA-N
XLogP5.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 55955381
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 55890097
2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166775775
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 139007297
5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide
CID 56543760
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119721910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55953671) is 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide is Cc1cccc(C2CCCN2C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1.
What is the InChIKey of 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is BANGHPAPYZSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-16-4-2-5-18(14-16)20-6-3-13-27(20)23(28)15-17-7-9-19(10-8-17)26-24(29)21-11-12-22(25)30-21/h2,4-5,7-12,14,20H,3,6,13,15H2,1H3,(H,26,29).
What are the key properties of 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 467.36 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55953671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).