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

C11H12ClF3N2O — CID 55006686

IUPAC3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H12ClF3N2O/c1-2-17(6-11(13,14)15)10(18)7-3-4-8(12)9(16)5-7/h3-5H,2,6,16H2,1H3
InChIKeyPMXSGPKDTLJFMB-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.95
Rot. Bonds3

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

3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55006686) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55006686
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H12ClF3N2O/c1-2-17(6-11(13,14)15)10(18)7-3-4-8(12)9(16)5-7/h3-5H,2,6,16H2,1H3
InChIKeyPMXSGPKDTLJFMB-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.95
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

4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55006686) is 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PMXSGPKDTLJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-2-17(6-11(13,14)15)10(18)7-3-4-8(12)9(16)5-7/h3-5H,2,6,16H2,1H3.
What are the key properties of 3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 280.68 g/mol, XLogP of 2.95, 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-ethyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55006686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).