5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

C20H17BrN2O5 — CID 46488415

IUPAC5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1OC
InChIInChI=1S/C20H17BrN2O5/c1-26-15-7-6-14(11-17(15)27-2)22-19(24)12-4-3-5-13(10-12)23-20(25)16-8-9-18(21)28-16/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyKRDGKNKXXMVCJV-UHFFFAOYSA-N
MW445.27 g/mol
LogP4.56
Rot. Bonds6

About 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 46488415) has the molecular formula C20H17BrN2O5 and a molecular weight of 445.27 g/mol. Its IUPAC name is 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID46488415
Molecular FormulaC20H17BrN2O5
Molecular Weight445.27 g/mol
Exact Mass444.03
IUPAC Name5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1OC
InChIInChI=1S/C20H17BrN2O5/c1-26-15-7-6-14(11-17(15)27-2)22-19(24)12-4-3-5-13(10-12)23-20(25)16-8-9-18(21)28-16/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyKRDGKNKXXMVCJV-UHFFFAOYSA-N
XLogP4.56
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.27
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 46323224
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55771323
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 46488415) is 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1OC.
What is the InChIKey of 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KRDGKNKXXMVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O5/c1-26-15-7-6-14(11-17(15)27-2)22-19(24)12-4-3-5-13(10-12)23-20(25)16-8-9-18(21)28-16/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 445.27 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46488415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).