2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide

C17H18ClNO2 — CID 3044350

IUPAC2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C17H18ClNO2/c1-17(2,16(19)20)21-15-9-5-13(6-10-15)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyFNPGYSRBGMSTRC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.57
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide

2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide (PubChem CID 3044350) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
PubChem CID3044350
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C17H18ClNO2/c1-17(2,16(19)20)21-15-9-5-13(6-10-15)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyFNPGYSRBGMSTRC-UHFFFAOYSA-N
XLogP3.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 22768000
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
CID 131878857
CID 131878857
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
CID 20571883
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
propan-2-yl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
CID 3054658
S-sulfanyl 2-(4-chlorophenoxy)-2-methylpropanethioate
CID 123279621
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide (CID 3044350) is 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide is CC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(N)=O.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide?
The InChIKey is FNPGYSRBGMSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2,16(19)20)21-15-9-5-13(6-10-15)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H2,19,20).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide?
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide has a molecular weight of 303.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 3044350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).