N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide

C24H24ClNO3 — CID 100665009

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H24ClNO3/c1-16-4-5-18(14-17(16)2)6-13-24(27)26-22-15-19(25)7-12-23(22)29-21-10-8-20(28-3)9-11-21/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,26,27)
InChIKeyBFFIHQYTYDJSLY-UHFFFAOYSA-N
MW409.91 g/mol
LogP6.33
Rot. Bonds7

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide (PubChem CID 100665009) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
PubChem CID100665009
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H24ClNO3/c1-16-4-5-18(14-17(16)2)6-13-24(27)26-22-15-19(25)7-12-23(22)29-21-10-8-20(28-3)9-11-21/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,26,27)
InChIKeyBFFIHQYTYDJSLY-UHFFFAOYSA-N
XLogP6.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide
CID 86933421
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide (CID 100665009) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide?
The InChIKey is BFFIHQYTYDJSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-16-4-5-18(14-17(16)2)6-13-24(27)26-22-15-19(25)7-12-23(22)29-21-10-8-20(28-3)9-11-21/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,26,27).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide has a molecular weight of 409.91 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 100665009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).