N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide

C17H18ClNO2 — CID 112790388

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-13-6-5-8-15(10-13)21-12-17(20)19(2)11-14-7-3-4-9-16(14)18/h3-10H,11-12H2,1-2H3
InChIKeyIGAWXRMHGJSPPO-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide (PubChem CID 112790388) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
PubChem CID112790388
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-13-6-5-8-15(10-13)21-12-17(20)19(2)11-14-7-3-4-9-16(14)18/h3-10H,11-12H2,1-2H3
InChIKeyIGAWXRMHGJSPPO-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7930348
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 132708570
2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 55328875
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 132708514
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 100557876
(2S)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100699821
(2R)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100699809
(2S)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555429
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide (CID 112790388) is N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N(C)Cc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
The InChIKey is IGAWXRMHGJSPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13-6-5-8-15(10-13)21-12-17(20)19(2)11-14-7-3-4-9-16(14)18/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 112790388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).