N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide

C20H17BrClNO3 — CID 17335241

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H17BrClNO3/c1-13-10-16(22)6-8-18(13)25-12-20(24)23-11-17-7-9-19(26-17)14-2-4-15(21)5-3-14/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyUCPINWPYMIDYKC-UHFFFAOYSA-N
MW434.72 g/mol
LogP5.37
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 17335241) has the molecular formula C20H17BrClNO3 and a molecular weight of 434.72 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID17335241
Molecular FormulaC20H17BrClNO3
Molecular Weight434.72 g/mol
Exact Mass433.01
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H17BrClNO3/c1-13-10-16(22)6-8-18(13)25-12-20(24)23-11-17-7-9-19(26-17)14-2-4-15(21)5-3-14/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyUCPINWPYMIDYKC-UHFFFAOYSA-N
XLogP5.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.72
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 9204148
2-(4-chloro-2-methylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860411
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 112771182
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 29346676
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 54785534
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide (CID 17335241) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is UCPINWPYMIDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClNO3/c1-13-10-16(22)6-8-18(13)25-12-20(24)23-11-17-7-9-19(26-17)14-2-4-15(21)5-3-14/h2-10H,11-12H2,1H3,(H,23,24).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 434.72 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 17335241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).