N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide

C20H21ClF3N3O3 — CID 60587790

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClF3N3O3/c1-3-30-17-9-8-13(20(22,23)24)10-16(17)25-11-19(29)27(2)12-18(28)26-15-7-5-4-6-14(15)21/h4-10,25H,3,11-12H2,1-2H3,(H,26,28)
InChIKeyBTGYTOCSIKXNIQ-UHFFFAOYSA-N
MW443.85 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide (PubChem CID 60587790) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
PubChem CID60587790
Molecular FormulaC20H21ClF3N3O3
Molecular Weight443.85 g/mol
Exact Mass443.12
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClF3N3O3/c1-3-30-17-9-8-13(20(22,23)24)10-16(17)25-11-19(29)27(2)12-18(28)26-15-7-5-4-6-14(15)21/h4-10,25H,3,11-12H2,1-2H3,(H,26,28)
InChIKeyBTGYTOCSIKXNIQ-UHFFFAOYSA-N
XLogP4.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(2-chlorophenyl)-2-[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 7571615
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
CID 26505954
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 60587911
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9409771
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide (CID 60587790) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide is CCOc1ccc(C(F)(F)F)cc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide?
The InChIKey is BTGYTOCSIKXNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c1-3-30-17-9-8-13(20(22,23)24)10-16(17)25-11-19(29)27(2)12-18(28)26-15-7-5-4-6-14(15)21/h4-10,25H,3,11-12H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide has a molecular weight of 443.85 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 60587790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).