N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C17H13ClF4N2O2 — CID 113000083

IUPACN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H13ClF4N2O2/c18-13-5-4-11(17(20,21)22)8-14(13)24-16(26)9-23-15(25)7-10-2-1-3-12(19)6-10/h1-6,8H,7,9H2,(H,23,25)(H,24,26)
InChIKeyBIOIYKQZBABPFD-UHFFFAOYSA-N
MW388.75 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113000083) has the molecular formula C17H13ClF4N2O2 and a molecular weight of 388.75 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113000083
Molecular FormulaC17H13ClF4N2O2
Molecular Weight388.75 g/mol
Exact Mass388.06
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H13ClF4N2O2/c18-13-5-4-11(17(20,21)22)8-14(13)24-16(26)9-23-15(25)7-10-2-1-3-12(19)6-10/h1-6,8H,7,9H2,(H,23,25)(H,24,26)
InChIKeyBIOIYKQZBABPFD-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-(2-chloro-5-iodophenyl)-2-(3-fluorophenyl)acetamide
CID 113255381
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 113000083) is N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is BIOIYKQZBABPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N2O2/c18-13-5-4-11(17(20,21)22)8-14(13)24-16(26)9-23-15(25)7-10-2-1-3-12(19)6-10/h1-6,8H,7,9H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 388.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113000083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).