N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide

C16H12Cl2F4N2O2 — CID 18280401

IUPACN-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
SMILESO=C(CNc1cc(F)ccc1OCC(F)(F)F)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F4N2O2/c17-10-2-1-3-11(15(10)18)24-14(25)7-23-12-6-9(19)4-5-13(12)26-8-16(20,21)22/h1-6,23H,7-8H2,(H,24,25)
InChIKeyOCMONTXRSIJJAB-UHFFFAOYSA-N
MW411.18 g/mol
LogP5.12
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide

N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide (PubChem CID 18280401) has the molecular formula C16H12Cl2F4N2O2 and a molecular weight of 411.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
PubChem CID18280401
Molecular FormulaC16H12Cl2F4N2O2
Molecular Weight411.18 g/mol
Exact Mass410.02
IUPAC NameN-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
SMILESO=C(CNc1cc(F)ccc1OCC(F)(F)F)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F4N2O2/c17-10-2-1-3-11(15(10)18)24-14(25)7-23-12-6-9(19)4-5-13(12)26-8-16(20,21)22/h1-6,23H,7-8H2,(H,24,25)
InChIKeyOCMONTXRSIJJAB-UHFFFAOYSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
N-(2,6-dimethylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 18288908
N-(4-fluorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656321
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24656372
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-(2,3-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827691
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 18271470
2-(5-acetamido-2-fluoroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 37278206
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide (CID 18280401) is N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide is O=C(CNc1cc(F)ccc1OCC(F)(F)F)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The InChIKey is OCMONTXRSIJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F4N2O2/c17-10-2-1-3-11(15(10)18)24-14(25)7-23-12-6-9(19)4-5-13(12)26-8-16(20,21)22/h1-6,23H,7-8H2,(H,24,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide?
N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide has a molecular weight of 411.18 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide is sourced from PubChem (CID 18280401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).