[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate

C20H16Cl4N2O4 — CID 146299443

IUPAC[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC12CC1(COC(=O)Nc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C20H16Cl4N2O4/c21-13-3-1-11(5-15(13)23)25-18(28)30-10-19-8-20(19,9-19)26-17(27)7-29-12-2-4-14(22)16(24)6-12/h1-6H,7-10H2,(H,25,28)(H,26,27)
InChIKeyNNJDSWWJFAGTLB-UHFFFAOYSA-N
MW490.17 g/mol
LogP5.58
Rot. Bonds7

About [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate

[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 146299443) has the molecular formula C20H16Cl4N2O4 and a molecular weight of 490.17 g/mol. Its IUPAC name is [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate
PubChem CID146299443
Molecular FormulaC20H16Cl4N2O4
Molecular Weight490.17 g/mol
Exact Mass487.99
IUPAC Name[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC12CC1(COC(=O)Nc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C20H16Cl4N2O4/c21-13-3-1-11(5-15(13)23)25-18(28)30-10-19-8-20(19,9-19)26-17(27)7-29-12-2-4-14(22)16(24)6-12/h1-6H,7-10H2,(H,25,28)(H,26,27)
InChIKeyNNJDSWWJFAGTLB-UHFFFAOYSA-N
XLogP5.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.17
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate with MolForge

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Related Compounds

[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
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[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-bromophenyl)carbamate
CID 150523643
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
[(3S)-3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[2.1.0]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 146299453
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
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2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 49169219
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
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2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
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2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
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1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate (CID 146299443) is [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate is O=C(COc1ccc(Cl)c(Cl)c1)NC12CC1(COC(=O)Nc1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is NNJDSWWJFAGTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl4N2O4/c21-13-3-1-11(5-15(13)23)25-18(28)30-10-19-8-20(19,9-19)26-17(27)7-29-12-2-4-14(22)16(24)6-12/h1-6H,7-10H2,(H,25,28)(H,26,27).
What are the key properties of [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate?
[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 490.17 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.0]butanyl]methyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 146299443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).