N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide

C17H18ClNO2 — CID 7914785

IUPACN-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-3-6-15(7-4-12)21-10-9-17(20)19-16-8-5-14(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyOBUARGXKHXSDPI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.36
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide

N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide (PubChem CID 7914785) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
PubChem CID7914785
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-3-6-15(7-4-12)21-10-9-17(20)19-16-8-5-14(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyOBUARGXKHXSDPI-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892964
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
CID 108802815
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139581
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 2073757
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide (CID 7914785) is N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide?
The InChIKey is OBUARGXKHXSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-3-6-15(7-4-12)21-10-9-17(20)19-16-8-5-14(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide?
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 7914785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).