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

C17H20ClNO3 — CID 18162414

IUPAC2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC(C)CCc2ccco2)c1
InChIInChI=1S/C17H20ClNO3/c1-12-5-8-15(18)16(10-12)22-11-17(20)19-13(2)6-7-14-4-3-9-21-14/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,19,20)
InChIKeyJIOQJAYMZSZYEC-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.76
Rot. Bonds7

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

2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 18162414) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID18162414
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC(C)CCc2ccco2)c1
InChIInChI=1S/C17H20ClNO3/c1-12-5-8-15(18)16(10-12)22-11-17(20)19-13(2)6-7-14-4-3-9-21-14/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,19,20)
InChIKeyJIOQJAYMZSZYEC-UHFFFAOYSA-N
XLogP3.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432
2-(2-chloro-5-methylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113714
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55364221
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
methyl 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 17393717
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
N-[1-(furan-2-yl)propan-2-yl]-2-(2-methylphenoxy)acetamide
CID 47168840

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide (CID 18162414) is 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide is Cc1ccc(Cl)c(OCC(=O)NC(C)CCc2ccco2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is JIOQJAYMZSZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-12-5-8-15(18)16(10-12)22-11-17(20)19-13(2)6-7-14-4-3-9-21-14/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 321.80 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 18162414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).