N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide

C19H18Cl2N2O2 — CID 10177589

IUPACN-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide
SMILESCCC(C#N)(COc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-2-19(12-22,13-25-17-8-6-15(20)7-9-17)23-18(24)11-14-4-3-5-16(21)10-14/h3-10H,2,11,13H2,1H3,(H,23,24)
InChIKeyCBWLTHWWGUKBIZ-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.40
Rot. Bonds7

About N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide

N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide (PubChem CID 10177589) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide
PubChem CID10177589
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC NameN-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide
SMILESCCC(C#N)(COc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-2-19(12-22,13-25-17-8-6-15(20)7-9-17)23-18(24)11-14-4-3-5-16(21)10-14/h3-10H,2,11,13H2,1H3,(H,23,24)
InChIKeyCBWLTHWWGUKBIZ-UHFFFAOYSA-N
XLogP4.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261502
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
2-(3-chlorophenyl)-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105059159
3-amino-1-(3-chlorophenyl)-3-methylpentan-2-one
CID 116590344
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503915
2-amino-2-[(4-chlorophenoxy)methyl]butanenitrile
CID 59710658
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 54904477

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide (CID 10177589) is N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide is CCC(C#N)(COc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide?
The InChIKey is CBWLTHWWGUKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-19(12-22,13-25-17-8-6-15(20)7-9-17)23-18(24)11-14-4-3-5-16(21)10-14/h3-10H,2,11,13H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide?
N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide has a molecular weight of 377.27 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenoxy)-2-cyanobutan-2-yl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 10177589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).