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

C16H15Cl2NO2 — CID 39088317

IUPACN-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11-10-12(17)6-7-14(11)19-16(20)8-9-21-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyUMZVYZSBCBVMJP-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.71
Rot. Bonds5

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

N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide (PubChem CID 39088317) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
PubChem CID39088317
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11-10-12(17)6-7-14(11)19-16(20)8-9-21-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyUMZVYZSBCBVMJP-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
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N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
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2-[4-[4-(2-chlorophenoxy)butanoylamino]-3-methylphenoxy]acetic acid
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3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
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CID 26358946

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide (CID 39088317) is N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide is Cc1cc(Cl)ccc1NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide?
The InChIKey is UMZVYZSBCBVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11-10-12(17)6-7-14(11)19-16(20)8-9-21-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide has a molecular weight of 324.21 g/mol, XLogP of 4.71, 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-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 39088317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).