5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide

C11H13ClF3N3O2 — CID 107195938

IUPAC5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCOCC(F)(F)F
InChIInChI=1S/C11H13ClF3N3O2/c12-8-4-6(16)3-7(10(17)19)9(8)18-1-2-20-5-11(13,14)15/h3-4,18H,1-2,5,16H2,(H2,17,19)
InChIKeyVIWHHNZIRLZXCX-UHFFFAOYSA-N
MW311.69 g/mol
LogP2.01
Rot. Bonds6

About 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide

5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide (PubChem CID 107195938) has the molecular formula C11H13ClF3N3O2 and a molecular weight of 311.69 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
PubChem CID107195938
Molecular FormulaC11H13ClF3N3O2
Molecular Weight311.69 g/mol
Exact Mass311.06
IUPAC Name5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCOCC(F)(F)F
InChIInChI=1S/C11H13ClF3N3O2/c12-8-4-6(16)3-7(10(17)19)9(8)18-1-2-20-5-11(13,14)15/h3-4,18H,1-2,5,16H2,(H2,17,19)
InChIKeyVIWHHNZIRLZXCX-UHFFFAOYSA-N
XLogP2.01
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzamide, 2-((2-butoxyethyl)amino)-5-chloro-
CID 58899
5-chloro-N-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]benzamide
CID 71857359
4-chloro-N,N-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 72120449
N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
CID 11646804
5-Chloro-2-(4,4,4-trifluorobutylamino)benzamide
CID 118058845
8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one
CID 144986113
N-[5-chloro-2-(2-methoxyethylcarbamoyl)phenyl]-2,6-difluorobenzamide
CID 175979158
2-amino-4-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 176888759
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 5170476
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963107
4-chloro-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropanoylamino)benzamide
CID 53593256
3-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261252

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide (CID 107195938) is 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCOCC(F)(F)F.
What is the InChIKey of 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide?
The InChIKey is VIWHHNZIRLZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2/c12-8-4-6(16)3-7(10(17)19)9(8)18-1-2-20-5-11(13,14)15/h3-4,18H,1-2,5,16H2,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide?
5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide has a molecular weight of 311.69 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide is sourced from PubChem (CID 107195938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).