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

C17H16ClF3N2O3 — CID 24652325

IUPACN-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2F)cc1OC(F)F
InChIInChI=1S/C17H16ClF3N2O3/c1-9(16(24)23-13-5-3-10(18)7-12(13)19)22-11-4-6-14(25-2)15(8-11)26-17(20)21/h3-9,17,22H,1-2H3,(H,23,24)
InChIKeyKMKFWVHUFDJSNZ-UHFFFAOYSA-N
MW388.77 g/mol
LogP4.53
Rot. Bonds7

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

N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide (PubChem CID 24652325) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
PubChem CID24652325
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2F)cc1OC(F)F
InChIInChI=1S/C17H16ClF3N2O3/c1-9(16(24)23-13-5-3-10(18)7-12(13)19)22-11-4-6-14(25-2)15(8-11)26-17(20)21/h3-9,17,22H,1-2H3,(H,23,24)
InChIKeyKMKFWVHUFDJSNZ-UHFFFAOYSA-N
XLogP4.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide (CID 24652325) is N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide is COc1ccc(NC(C)C(=O)Nc2ccc(Cl)cc2F)cc1OC(F)F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The InChIKey is KMKFWVHUFDJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c1-9(16(24)23-13-5-3-10(18)7-12(13)19)22-11-4-6-14(25-2)15(8-11)26-17(20)21/h3-9,17,22H,1-2H3,(H,23,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide has a molecular weight of 388.77 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide is sourced from PubChem (CID 24652325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).