5-amino-2-chloro-4-(trifluoromethyl)benzamide

C8H6ClF3N2O — CID 131460554

IUPAC5-amino-2-chloro-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(N)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O/c9-5-2-4(8(10,11)12)6(13)1-3(5)7(14)15/h1-2H,13H2,(H2,14,15)
InChIKeyPGUHELWIFSHNEO-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.04
Rot. Bonds1

About 5-amino-2-chloro-4-(trifluoromethyl)benzamide

5-amino-2-chloro-4-(trifluoromethyl)benzamide (PubChem CID 131460554) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is 5-amino-2-chloro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-(trifluoromethyl)benzamide
PubChem CID131460554
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC Name5-amino-2-chloro-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(N)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O/c9-5-2-4(8(10,11)12)6(13)1-3(5)7(14)15/h1-2H,13H2,(H2,14,15)
InChIKeyPGUHELWIFSHNEO-UHFFFAOYSA-N
XLogP2.04
TPSA69.11 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 ≤ 52.04
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

5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
4-amino-2-chloro-5-(trifluoromethyl)phenol
CID 131210150
[4-amino-2-chloro-5-(trifluoromethyl)phenyl]methanol
CID 118806771
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-amino-2-chloro-4-(trifluoromethyl)benzamide (CID 131460554) is 5-amino-2-chloro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-4-(trifluoromethyl)benzamide is NC(=O)c1cc(N)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-(trifluoromethyl)benzamide?
The InChIKey is PGUHELWIFSHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c9-5-2-4(8(10,11)12)6(13)1-3(5)7(14)15/h1-2H,13H2,(H2,14,15).
What are the key properties of 5-amino-2-chloro-4-(trifluoromethyl)benzamide?
5-amino-2-chloro-4-(trifluoromethyl)benzamide has a molecular weight of 238.60 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 131460554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).