N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide

C16H16ClNO2 — CID 7965845

IUPACN-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-12-3-2-4-15(11-12)20-10-9-16(19)18-14-7-5-13(17)6-8-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeySFZWNROYSJBPAF-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.06
Rot. Bonds5

About N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide

N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide (PubChem CID 7965845) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
PubChem CID7965845
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-12-3-2-4-15(11-12)20-10-9-16(19)18-14-7-5-13(17)6-8-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeySFZWNROYSJBPAF-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-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-methylphenoxy)propanamide
CID 8921028
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
CID 2446420
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139425
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide (CID 7965845) is N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is SFZWNROYSJBPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-3-2-4-15(11-12)20-10-9-16(19)18-14-7-5-13(17)6-8-14/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide?
N-(4-chlorophenyl)-3-(3-methylphenoxy)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 N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 7965845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).