N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide

C18H19Cl2NO3 — CID 129156953

IUPACN-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(C(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO3/c1-11(2)12-4-7-16(17(8-12)23-3)24-10-18(22)21-13-5-6-14(19)15(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyWUZNYFPNEQVTRM-UHFFFAOYSA-N
MW368.26 g/mol
LogP5.14
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide

N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide (PubChem CID 129156953) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
PubChem CID129156953
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(C(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO3/c1-11(2)12-4-7-16(17(8-12)23-3)24-10-18(22)21-13-5-6-14(19)15(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyWUZNYFPNEQVTRM-UHFFFAOYSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46490770
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide (CID 129156953) is N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide is COc1cc(C(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide?
The InChIKey is WUZNYFPNEQVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-11(2)12-4-7-16(17(8-12)23-3)24-10-18(22)21-13-5-6-14(19)15(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide?
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide has a molecular weight of 368.26 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 129156953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).