N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide

C17H18ClNO2 — CID 17071179

IUPACN-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO2/c1-12-6-13(2)8-16(7-12)21-11-17(20)19-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyCWOHMZYJEDRRDS-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.65
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide

N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 17071179) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID17071179
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO2/c1-12-6-13(2)8-16(7-12)21-11-17(20)19-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyCWOHMZYJEDRRDS-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
4-O-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851537

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide (CID 17071179) is N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is CWOHMZYJEDRRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-6-13(2)8-16(7-12)21-11-17(20)19-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 17071179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).