N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide

C12H14F3N3O3 — CID 47077756

IUPACN-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)NC(N)=O
InChIInChI=1S/C12H14F3N3O3/c1-2-21-9-4-3-7(12(13,14)15)5-8(9)17-6-10(19)18-11(16)20/h3-5,17H,2,6H2,1H3,(H3,16,18,19,20)
InChIKeyNDXTXETYDMHFIA-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.71
Rot. Bonds5

About N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide

N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide (PubChem CID 47077756) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
PubChem CID47077756
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)NC(N)=O
InChIInChI=1S/C12H14F3N3O3/c1-2-21-9-4-3-7(12(13,14)15)5-8(9)17-6-10(19)18-11(16)20/h3-5,17H,2,6H2,1H3,(H3,16,18,19,20)
InChIKeyNDXTXETYDMHFIA-UHFFFAOYSA-N
XLogP1.71
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
CID 2440684
2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 60587911
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
CID 60587790
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide (CID 47077756) is N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide is CCOc1ccc(C(F)(F)F)cc1NCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is NDXTXETYDMHFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-2-21-9-4-3-7(12(13,14)15)5-8(9)17-6-10(19)18-11(16)20/h3-5,17H,2,6H2,1H3,(H3,16,18,19,20).
What are the key properties of N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide?
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 305.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 47077756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).