N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide

C8H6ClF3N2O — CID 14399786

IUPACN-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
SMILESNc1cc(Cl)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C8H6ClF3N2O/c9-4-1-2-6(5(13)3-4)14-7(15)8(10,11)12/h1-3H,13H2,(H,14,15)
InChIKeyRFUNHILYJOODNW-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.42
Rot. Bonds1

About N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide

N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 14399786) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
PubChem CID14399786
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC NameN-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
SMILESNc1cc(Cl)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C8H6ClF3N2O/c9-4-1-2-6(5(13)3-4)14-7(15)8(10,11)12/h1-3H,13H2,(H,14,15)
InChIKeyRFUNHILYJOODNW-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
N-[2-amino-4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
CID 143862518
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908264
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
4-chloro-1-N-fluorobenzene-1,2-diamine
CID 146389148
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide (CID 14399786) is N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide is Nc1cc(Cl)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is RFUNHILYJOODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c9-4-1-2-6(5(13)3-4)14-7(15)8(10,11)12/h1-3H,13H2,(H,14,15).
What are the key properties of N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide?
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 238.60 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14399786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).