2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide

C18H20F2N2O4 — CID 134039312

IUPAC2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Nc2ccc(OC)c(OC(F)F)c2)cc1
InChIInChI=1S/C18H20F2N2O4/c1-11(17(23)22-12-4-7-14(24-2)8-5-12)21-13-6-9-15(25-3)16(10-13)26-18(19)20/h4-11,18,21H,1-3H3,(H,22,23)
InChIKeyMDKXWAQBSHXJRB-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.74
Rot. Bonds8

About 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide (PubChem CID 134039312) has the molecular formula C18H20F2N2O4 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
PubChem CID134039312
Molecular FormulaC18H20F2N2O4
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Nc2ccc(OC)c(OC(F)F)c2)cc1
InChIInChI=1S/C18H20F2N2O4/c1-11(17(23)22-12-4-7-14(24-2)8-5-12)21-13-6-9-15(25-3)16(10-13)26-18(19)20/h4-11,18,21H,1-3H3,(H,22,23)
InChIKeyMDKXWAQBSHXJRB-UHFFFAOYSA-N
XLogP3.74
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.74
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-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylanilino)propanamide
CID 51242692

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide (CID 134039312) is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Nc2ccc(OC)c(OC(F)F)c2)cc1.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is MDKXWAQBSHXJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4/c1-11(17(23)22-12-4-7-14(24-2)8-5-12)21-13-6-9-15(25-3)16(10-13)26-18(19)20/h4-11,18,21H,1-3H3,(H,22,23).
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide?
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 366.36 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 134039312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).