2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C16H18ClNO3 — CID 78768448

IUPAC2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2C)o1
InChIInChI=1S/C16H18ClNO3/c1-11-8-13(17)5-7-15(11)20-10-16(19)18(3)9-14-6-4-12(2)21-14/h4-8H,9-10H2,1-3H3
InChIKeyUDYBLWSRECIARE-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.59
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 78768448) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID78768448
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2C)o1
InChIInChI=1S/C16H18ClNO3/c1-11-8-13(17)5-7-15(11)20-10-16(19)18(3)9-14-6-4-12(2)21-14/h4-8H,9-10H2,1-3H3
InChIKeyUDYBLWSRECIARE-UHFFFAOYSA-N
XLogP3.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784513
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 112790561
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenylphenoxy)acetamide
CID 4786375
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601511
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 17465759
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604546
2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
CID 19243794
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium
CID 8793994
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8501359

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 78768448) is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2C)o1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is UDYBLWSRECIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-11-8-13(17)5-7-15(11)20-10-16(19)18(3)9-14-6-4-12(2)21-14/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 78768448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).