N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide

C13H15ClN2O2 — CID 80708257

IUPACN-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O2/c1-3-9(2)16-13(17)8-18-12-6-11(14)5-4-10(12)7-15/h4-6,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyLMRDJASCNGGQBM-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.51
Rot. Bonds5

About N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide

N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide (PubChem CID 80708257) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
PubChem CID80708257
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O2/c1-3-9(2)16-13(17)8-18-12-6-11(14)5-4-10(12)7-15/h4-6,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyLMRDJASCNGGQBM-UHFFFAOYSA-N
XLogP2.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
4-chloro-2-(3-methyl-2-oxopentoxy)benzonitrile
CID 114323732
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide (CID 80708257) is N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide is CCC(C)NC(=O)COc1cc(Cl)ccc1C#N.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide?
The InChIKey is LMRDJASCNGGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-9(2)16-13(17)8-18-12-6-11(14)5-4-10(12)7-15/h4-6,9H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide?
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide is sourced from PubChem (CID 80708257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).