2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide

C19H22ClNO3 — CID 4789101

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1ccco1
InChIInChI=1S/C19H22ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(22)21-12-16-7-4-10-23-16/h4,7-11,14H,1-3,5-6,12-13H2,(H,21,22)
InChIKeyYRPMKFVDQWFRPV-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide

2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 4789101) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID4789101
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1ccco1
InChIInChI=1S/C19H22ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(22)21-12-16-7-4-10-23-16/h4,7-11,14H,1-3,5-6,12-13H2,(H,21,22)
InChIKeyYRPMKFVDQWFRPV-UHFFFAOYSA-N
XLogP4.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2117470
2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 78887844
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260731
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 4789101) is 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1ccco1.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YRPMKFVDQWFRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(22)21-12-16-7-4-10-23-16/h4,7-11,14H,1-3,5-6,12-13H2,(H,21,22).
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 347.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4789101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).