5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide

C23H23BrClNO5 — CID 19463791

IUPAC5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)cc1OCC
InChIInChI=1S/C23H23BrClNO5/c1-3-28-20-8-5-15(11-22(20)29-4-2)13-26-23(27)21-10-7-17(31-21)14-30-19-9-6-16(24)12-18(19)25/h5-12H,3-4,13-14H2,1-2H3,(H,26,27)
InChIKeyWLAJKMSNDVAEEU-UHFFFAOYSA-N
MW508.80 g/mol
LogP6.00
Rot. Bonds10

About 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 19463791) has the molecular formula C23H23BrClNO5 and a molecular weight of 508.80 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID19463791
Molecular FormulaC23H23BrClNO5
Molecular Weight508.80 g/mol
Exact Mass507.04
IUPAC Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)cc1OCC
InChIInChI=1S/C23H23BrClNO5/c1-3-28-20-8-5-15(11-22(20)29-4-2)13-26-23(27)21-10-7-17(31-21)14-30-19-9-6-16(24)12-18(19)25/h5-12H,3-4,13-14H2,1-2H3,(H,26,27)
InChIKeyWLAJKMSNDVAEEU-UHFFFAOYSA-N
XLogP6.00
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.80
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19449066
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
ethyl 2-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19463739
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19463799
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19281797
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19408811

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide (CID 19463791) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide is CCOc1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)cc1OCC.
What is the InChIKey of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is WLAJKMSNDVAEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrClNO5/c1-3-28-20-8-5-15(11-22(20)29-4-2)13-26-23(27)21-10-7-17(31-21)14-30-19-9-6-16(24)12-18(19)25/h5-12H,3-4,13-14H2,1-2H3,(H,26,27).
What are the key properties of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 508.80 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19463791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).