N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide

C17H13ClF4N2O2 — CID 113001024

IUPACN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H13ClF4N2O2/c18-11-5-6-14(12(8-11)17(20,21)22)24-16(26)9-23-15(25)7-10-3-1-2-4-13(10)19/h1-6,8H,7,9H2,(H,23,25)(H,24,26)
InChIKeyVGANLRDQQBOHJH-UHFFFAOYSA-N
MW388.75 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113001024) has the molecular formula C17H13ClF4N2O2 and a molecular weight of 388.75 g/mol. Its IUPAC name is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113001024
Molecular FormulaC17H13ClF4N2O2
Molecular Weight388.75 g/mol
Exact Mass388.06
IUPAC NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H13ClF4N2O2/c18-11-5-6-14(12(8-11)17(20,21)22)24-16(26)9-23-15(25)7-10-3-1-2-4-13(10)19/h1-6,8H,7,9H2,(H,23,25)(H,24,26)
InChIKeyVGANLRDQQBOHJH-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-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113001015
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide (CID 113001024) is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is VGANLRDQQBOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N2O2/c18-11-5-6-14(12(8-11)17(20,21)22)24-16(26)9-23-15(25)7-10-3-1-2-4-13(10)19/h1-6,8H,7,9H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-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-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113001024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).