3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C12H14ClF3N2O — CID 60947328

IUPAC3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H14ClF3N2O/c1-7(2)18(6-12(14,15)16)11(19)8-3-4-9(13)10(17)5-8/h3-5,7H,6,17H2,1-2H3
InChIKeyUAOUKMIJCOFMBU-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.34
Rot. Bonds3

About 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60947328) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60947328
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H14ClF3N2O/c1-7(2)18(6-12(14,15)16)11(19)8-3-4-9(13)10(17)5-8/h3-5,7H,6,17H2,1-2H3
InChIKeyUAOUKMIJCOFMBU-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 65349632
3-(2-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62593152
3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60939378
3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258
4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62682783

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 60947328) is 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CC(C)N(CC(F)(F)F)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UAOUKMIJCOFMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(2)18(6-12(14,15)16)11(19)8-3-4-9(13)10(17)5-8/h3-5,7H,6,17H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 294.70 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60947328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).