N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide

C18H20ClNO3 — CID 100789502

IUPACN-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO3/c1-12-11-13(19)7-9-15(12)20-18(21)10-8-14-16(22-2)5-4-6-17(14)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)
InChIKeyYBNVEBVATWIDKN-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.24
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide

N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide (PubChem CID 100789502) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
PubChem CID100789502
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO3/c1-12-11-13(19)7-9-15(12)20-18(21)10-8-14-16(22-2)5-4-6-17(14)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)
InChIKeyYBNVEBVATWIDKN-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide (CID 100789502) is N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide is COc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
The InChIKey is YBNVEBVATWIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-11-13(19)7-9-15(12)20-18(21)10-8-14-16(22-2)5-4-6-17(14)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide is sourced from PubChem (CID 100789502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).