N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide

C16H14Cl2F2N2O3 — CID 31418500

IUPACN-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1OC(F)F
InChIInChI=1S/C16H14Cl2F2N2O3/c1-24-12-6-5-9(7-13(12)25-16(19)20)21-8-14(23)22-11-4-2-3-10(17)15(11)18/h2-7,16,21H,8H2,1H3,(H,22,23)
InChIKeyLYIFVCVOOMLJNO-UHFFFAOYSA-N
MW391.20 g/mol
LogP4.65
Rot. Bonds7

About N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide

N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide (PubChem CID 31418500) has the molecular formula C16H14Cl2F2N2O3 and a molecular weight of 391.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
PubChem CID31418500
Molecular FormulaC16H14Cl2F2N2O3
Molecular Weight391.20 g/mol
Exact Mass390.03
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1OC(F)F
InChIInChI=1S/C16H14Cl2F2N2O3/c1-24-12-6-5-9(7-13(12)25-16(19)20)21-8-14(23)22-11-4-2-3-10(17)15(11)18/h2-7,16,21H,8H2,1H3,(H,22,23)
InChIKeyLYIFVCVOOMLJNO-UHFFFAOYSA-N
XLogP4.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 54.65
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-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 25332759
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
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
3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 55565701
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 16555115
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide (CID 31418500) is N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide is COc1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1OC(F)F.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
The InChIKey is LYIFVCVOOMLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O3/c1-24-12-6-5-9(7-13(12)25-16(19)20)21-8-14(23)22-11-4-2-3-10(17)15(11)18/h2-7,16,21H,8H2,1H3,(H,22,23).
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide?
N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide has a molecular weight of 391.20 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide is sourced from PubChem (CID 31418500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).