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

C16H16ClNO2 — CID 39087955

IUPAC3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-6-8-13(9-7-12)18-16(19)10-11-20-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPZPUZQNCEXJRQV-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.06
Rot. Bonds5

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

3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 39087955) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
PubChem CID39087955
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-6-8-13(9-7-12)18-16(19)10-11-20-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPZPUZQNCEXJRQV-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231037
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
1-[2-(2-chlorophenoxy)ethyl]-3-(4-methylphenyl)thiourea
CID 100749748
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide (CID 39087955) is 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is PZPUZQNCEXJRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-6-8-13(9-7-12)18-16(19)10-11-20-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide has a molecular weight of 289.76 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 39087955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).