5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide

C20H16BrClN2O3 — CID 55786922

IUPAC5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C20H16BrClN2O3/c1-12-15(22)3-2-4-16(12)24-19(25)11-13-5-7-14(8-6-13)23-20(26)17-9-10-18(21)27-17/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyGBFRIMZIKZNDHW-UHFFFAOYSA-N
MW447.72 g/mol
LogP5.44
Rot. Bonds5

About 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55786922) has the molecular formula C20H16BrClN2O3 and a molecular weight of 447.72 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55786922
Molecular FormulaC20H16BrClN2O3
Molecular Weight447.72 g/mol
Exact Mass446.00
IUPAC Name5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C20H16BrClN2O3/c1-12-15(22)3-2-4-16(12)24-19(25)11-13-5-7-14(8-6-13)23-20(26)17-9-10-18(21)27-17/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyGBFRIMZIKZNDHW-UHFFFAOYSA-N
XLogP5.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.72
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-bromo-N-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786816
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488303
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55786922) is 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide is Cc1c(Cl)cccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is GBFRIMZIKZNDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3/c1-12-15(22)3-2-4-16(12)24-19(25)11-13-5-7-14(8-6-13)23-20(26)17-9-10-18(21)27-17/h2-10H,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 447.72 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55786922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).