N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide

C18H20ClNO2 — CID 24511209

IUPACN-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-12-8-13(2)10-17(9-12)22-14(3)18(21)20-11-15-4-6-16(19)7-5-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyCEEVPLGYBGROKL-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide

N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 24511209) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
PubChem CID24511209
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-12-8-13(2)10-17(9-12)22-14(3)18(21)20-11-15-4-6-16(19)7-5-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyCEEVPLGYBGROKL-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
(2R)-2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015246
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2S)-2-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100645893
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide (CID 24511209) is N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is CEEVPLGYBGROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-8-13(2)10-17(9-12)22-14(3)18(21)20-11-15-4-6-16(19)7-5-15/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide?
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 24511209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).