2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide

C20H18ClNO3 — CID 55384972

IUPAC2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C20H18ClNO3/c1-14-12-16(21)9-10-17(14)25-13-19(23)22-20(18-8-5-11-24-18)15-6-3-2-4-7-15/h2-12,20H,13H2,1H3,(H,22,23)
InChIKeyCMQHQYVSDCIKOZ-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.53
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide (PubChem CID 55384972) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
PubChem CID55384972
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C20H18ClNO3/c1-14-12-16(21)9-10-17(14)25-13-19(23)22-20(18-8-5-11-24-18)15-6-3-2-4-7-15/h2-12,20H,13H2,1H3,(H,22,23)
InChIKeyCMQHQYVSDCIKOZ-UHFFFAOYSA-N
XLogP4.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
CID 8928209
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230897
N-[(R)-furan-2-yl(phenyl)methyl]-2-(2-phenylphenoxy)acetamide
CID 8928268
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683432
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(2-cyanophenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 51202359
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide (CID 55384972) is 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide?
The InChIKey is CMQHQYVSDCIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-14-12-16(21)9-10-17(14)25-13-19(23)22-20(18-8-5-11-24-18)15-6-3-2-4-7-15/h2-12,20H,13H2,1H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide has a molecular weight of 355.82 g/mol, XLogP of 4.53, 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-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide is sourced from PubChem (CID 55384972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).