5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

C22H20BrN3O4 — CID 51134432

IUPAC5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1
InChIInChI=1S/C22H20BrN3O4/c23-19-9-8-18(30-19)22(29)26-17-6-4-15(5-7-17)13-20(27)25-11-10-14-2-1-3-16(12-14)21(24)28/h1-9,12H,10-11,13H2,(H2,24,28)(H,25,27)(H,26,29)
InChIKeyUEUNCMDGIKISRY-UHFFFAOYSA-N
MW470.32 g/mol
LogP3.29
Rot. Bonds8

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

5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 51134432) has the molecular formula C22H20BrN3O4 and a molecular weight of 470.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID51134432
Molecular FormulaC22H20BrN3O4
Molecular Weight470.32 g/mol
Exact Mass469.06
IUPAC Name5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1
InChIInChI=1S/C22H20BrN3O4/c23-19-9-8-18(30-19)22(29)26-17-6-4-15(5-7-17)13-20(27)25-11-10-14-2-1-3-16(12-14)21(24)28/h1-9,12H,10-11,13H2,(H2,24,28)(H,25,27)(H,26,29)
InChIKeyUEUNCMDGIKISRY-UHFFFAOYSA-N
XLogP3.29
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 51134432) is 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is NC(=O)c1cccc(CCNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1.
What is the InChIKey of 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is UEUNCMDGIKISRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O4/c23-19-9-8-18(30-19)22(29)26-17-6-4-15(5-7-17)13-20(27)25-11-10-14-2-1-3-16(12-14)21(24)28/h1-9,12H,10-11,13H2,(H2,24,28)(H,25,27)(H,26,29).
What are the key properties of 5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 470.32 g/mol, XLogP of 3.29, 8 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-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51134432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).