5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide

C23H22BrN3O4 — CID 112834284

IUPAC5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C
InChIInChI=1S/C23H22BrN3O4/c1-14-5-4-6-18(15(14)2)26-21(28)13-27(3)23(30)16-7-9-17(10-8-16)25-22(29)19-11-12-20(24)31-19/h4-12H,13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyWSCBHNWXZYHTAR-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.62
Rot. Bonds6

About 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 112834284) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID112834284
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC Name5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C
InChIInChI=1S/C23H22BrN3O4/c1-14-5-4-6-18(15(14)2)26-21(28)13-27(3)23(30)16-7-9-17(10-8-16)25-22(29)19-11-12-20(24)31-19/h4-12H,13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyWSCBHNWXZYHTAR-UHFFFAOYSA-N
XLogP4.62
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786922
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883962
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503563
4-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]benzoic acid
CID 119181081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 112834284) is 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C.
What is the InChIKey of 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WSCBHNWXZYHTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c1-14-5-4-6-18(15(14)2)26-21(28)13-27(3)23(30)16-7-9-17(10-8-16)25-22(29)19-11-12-20(24)31-19/h4-12H,13H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 484.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112834284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).