N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide

C19H20ClF2N3O4 — CID 25332759

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
SMILESCOc1ccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1OC(F)F
InChIInChI=1S/C19H20ClF2N3O4/c1-11-13(20)4-3-5-14(11)25-18(27)10-24-17(26)9-23-12-6-7-15(28-2)16(8-12)29-19(21)22/h3-8,19,23H,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFPLGHGLFGAWQMA-UHFFFAOYSA-N
MW427.84 g/mol
LogP3.43
Rot. Bonds9

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide (PubChem CID 25332759) has the molecular formula C19H20ClF2N3O4 and a molecular weight of 427.84 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
PubChem CID25332759
Molecular FormulaC19H20ClF2N3O4
Molecular Weight427.84 g/mol
Exact Mass427.11
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
SMILESCOc1ccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1OC(F)F
InChIInChI=1S/C19H20ClF2N3O4/c1-11-13(20)4-3-5-14(11)25-18(27)10-24-17(26)9-23-12-6-7-15(28-2)16(8-12)29-19(21)22/h3-8,19,23H,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFPLGHGLFGAWQMA-UHFFFAOYSA-N
XLogP3.43
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 53.43
H-Bond Donors ≤ 53
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

N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 31418500
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 55565701
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(2-fluorophenyl)acetamide
CID 9103338
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583231
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
CID 22307377

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide (CID 25332759) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide is COc1ccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1OC(F)F.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
The InChIKey is FPLGHGLFGAWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O4/c1-11-13(20)4-3-5-14(11)25-18(27)10-24-17(26)9-23-12-6-7-15(28-2)16(8-12)29-19(21)22/h3-8,19,23H,9-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide has a molecular weight of 427.84 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide is sourced from PubChem (CID 25332759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).