5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

C23H22BrN3O4 — CID 55791104

IUPAC5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C23H22BrN3O4/c1-27(2)23(30)17-7-3-16(4-8-17)14-25-21(28)13-15-5-9-18(10-6-15)26-22(29)19-11-12-20(24)31-19/h3-12H,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRFENCDYEROXUKD-UHFFFAOYSA-N
MW484.35 g/mol
LogP3.86
Rot. Bonds7

About 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55791104) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55791104
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC Name5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C23H22BrN3O4/c1-27(2)23(30)17-7-3-16(4-8-17)14-25-21(28)13-15-5-9-18(10-6-15)26-22(29)19-11-12-20(24)31-19/h3-12H,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRFENCDYEROXUKD-UHFFFAOYSA-N
XLogP3.86
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841943
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488649
5-bromo-N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]phenyl]furan-2-carboxamide
CID 55788772
propyl 4-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]benzoate
CID 55789898
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55791104) is 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is RFENCDYEROXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c1-27(2)23(30)17-7-3-16(4-8-17)14-25-21(28)13-15-5-9-18(10-6-15)26-22(29)19-11-12-20(24)31-19/h3-12H,13-14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 484.35 g/mol, XLogP of 3.86, 7 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-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55791104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).