N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide

C18H21ClN2O4 — CID 9105369

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C18H21ClN2O4/c1-11-7-16(24-3)17(25-4)9-13(11)20-10-18(22)21-14-8-12(19)5-6-15(14)23-2/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyLPRRXJIZGFBRSO-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.72
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide (PubChem CID 9105369) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
PubChem CID9105369
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C18H21ClN2O4/c1-11-7-16(24-3)17(25-4)9-13(11)20-10-18(22)21-14-8-12(19)5-6-15(14)23-2/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyLPRRXJIZGFBRSO-UHFFFAOYSA-N
XLogP3.72
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104092
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide (CID 9105369) is N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide is COc1ccc(Cl)cc1NC(=O)CNc1cc(OC)c(OC)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide?
The InChIKey is LPRRXJIZGFBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-7-16(24-3)17(25-4)9-13(11)20-10-18(22)21-14-8-12(19)5-6-15(14)23-2/h5-9,20H,10H2,1-4H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide has a molecular weight of 364.83 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide is sourced from PubChem (CID 9105369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).