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

C17H18ClNO2 — CID 7973168

IUPACN-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-13-6-2-5-9-16(13)21-11-10-17(20)19-12-14-7-3-4-8-15(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyRVXIZQMGYYOOAY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.73
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide (PubChem CID 7973168) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
PubChem CID7973168
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-13-6-2-5-9-16(13)21-11-10-17(20)19-12-14-7-3-4-8-15(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyRVXIZQMGYYOOAY-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31885031
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide (CID 7973168) is N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is RVXIZQMGYYOOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13-6-2-5-9-16(13)21-11-10-17(20)19-12-14-7-3-4-8-15(14)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide?
N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 303.79 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 7973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).