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

C13H18ClNO2 — CID 60623539

IUPACN-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-10(3)15-13(16)8-17-12-7-9(2)5-6-11(12)14/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyALIBZRZEHSMCNK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.94
Rot. Bonds5

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

N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide (PubChem CID 60623539) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
PubChem CID60623539
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-10(3)15-13(16)8-17-12-7-9(2)5-6-11(12)14/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyALIBZRZEHSMCNK-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767371
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
methyl 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 17393717
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162414
2-(2-chloro-5-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801265
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide (CID 60623539) is N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide is CCC(C)NC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide?
The InChIKey is ALIBZRZEHSMCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-10(3)15-13(16)8-17-12-7-9(2)5-6-11(12)14/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide?
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide has a molecular weight of 255.74 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide is sourced from PubChem (CID 60623539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).