2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide

C21H21Cl2F4N3O2 — CID 87262022

IUPAC2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F)NCCN1CCOCC1
InChIInChI=1S/C21H21Cl2F4N3O2/c22-16-11-14(21(25,26)27)12-17(23)20(16)29-15-1-2-18(24)13(9-15)10-19(31)28-3-4-30-5-7-32-8-6-30/h1-2,9,11-12,29H,3-8,10H2,(H,28,31)
InChIKeyQJYLETCAEJBYFX-UHFFFAOYSA-N
MW494.32 g/mol
LogP4.89
Rot. Bonds7

About 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide

2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 87262022) has the molecular formula C21H21Cl2F4N3O2 and a molecular weight of 494.32 g/mol. Its IUPAC name is 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID87262022
Molecular FormulaC21H21Cl2F4N3O2
Molecular Weight494.32 g/mol
Exact Mass493.09
IUPAC Name2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F)NCCN1CCOCC1
InChIInChI=1S/C21H21Cl2F4N3O2/c22-16-11-14(21(25,26)27)12-17(23)20(16)29-15-1-2-18(24)13(9-15)10-19(31)28-3-4-30-5-7-32-8-6-30/h1-2,9,11-12,29H,3-8,10H2,(H,28,31)
InChIKeyQJYLETCAEJBYFX-UHFFFAOYSA-N
XLogP4.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.32
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 87262014
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
2-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767662
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016791
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109344651
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 87262022) is 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cc1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F)NCCN1CCOCC1.
What is the InChIKey of 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QJYLETCAEJBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F4N3O2/c22-16-11-14(21(25,26)27)12-17(23)20(16)29-15-1-2-18(24)13(9-15)10-19(31)28-3-4-30-5-7-32-8-6-30/h1-2,9,11-12,29H,3-8,10H2,(H,28,31).
What are the key properties of 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 494.32 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 87262022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).