5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide

C23H22BrN3O4 — CID 55991446

IUPAC5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C23H22BrN3O4/c1-14(2)25-22(29)16-5-9-17(10-6-16)26-21(28)13-15-3-7-18(8-4-15)27-23(30)19-11-12-20(24)31-19/h3-12,14H,13H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyRVOKAPPZSKOHPY-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.61
Rot. Bonds7

About 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide (PubChem CID 55991446) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
PubChem CID55991446
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC Name5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C23H22BrN3O4/c1-14(2)25-22(29)16-5-9-17(10-6-16)26-21(28)13-15-3-7-18(8-4-15)27-23(30)19-11-12-20(24)31-19/h3-12,14H,13H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyRVOKAPPZSKOHPY-UHFFFAOYSA-N
XLogP4.61
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
propyl 4-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]benzoate
CID 55789898
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46491324
5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60513275
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488303
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide (CID 55991446) is 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide?
The InChIKey is RVOKAPPZSKOHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c1-14(2)25-22(29)16-5-9-17(10-6-16)26-21(28)13-15-3-7-18(8-4-15)27-23(30)19-11-12-20(24)31-19/h3-12,14H,13H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide has a molecular weight of 484.35 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55991446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).