5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide

C9H9ClF3N3O — CID 107193570

IUPAC5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(F)(F)F
InChIInChI=1S/C9H9ClF3N3O/c10-6-2-4(14)1-5(8(15)17)7(6)16-3-9(11,12)13/h1-2,16H,3,14H2,(H2,15,17)
InChIKeyOBOHNYIEWGWHHV-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.00
Rot. Bonds3

About 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide

5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide (PubChem CID 107193570) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide
PubChem CID107193570
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(F)(F)F
InChIInChI=1S/C9H9ClF3N3O/c10-6-2-4(14)1-5(8(15)17)7(6)16-3-9(11,12)13/h1-2,16H,3,14H2,(H2,15,17)
InChIKeyOBOHNYIEWGWHHV-UHFFFAOYSA-N
XLogP2.00
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 5-chloro-2-(methylamino)-
CID 97387
3-Amino-n-(4-amino-2-chlorophenyl)benzamide
CID 760024
Benzamide, N-(2-chlorophenyl)-2-((3-(trifluoromethyl)phenyl)amino)-
CID 210202
Benzamide, 5-chloro-N-methyl-2-(methylamino)-
CID 120519
5-Chloro-N-(2-chlorophenyl)-2-(methylamino)benzene-1-carboximidic acid
CID 208613
Benzamide, N-(2,5-dichlorophenyl)-2-((3-(trifluoromethyl)phenyl)amino)-
CID 210405
n-(2-Chlorophenyl)-2-(methylamino)benzamide
CID 288565
2-[[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]amino]benzamide
CID 31526255
8-chloro-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 172446046
2-amino-5-(3-chloro-4-fluoroanilino)-N-(2-chloro-6-methylphenyl)benzamide
CID 177656682
2-amino-N-(2-chloro-4-fluorophenyl)benzamide
CID 16769541
4-Chloro-5-Nitro-2-[(3,4,5-Trifluorobenzyl)amino]benzamide
CID 57519670

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide (CID 107193570) is 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCC(F)(F)F.
What is the InChIKey of 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide?
The InChIKey is OBOHNYIEWGWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-6-2-4(14)1-5(8(15)17)7(6)16-3-9(11,12)13/h1-2,16H,3,14H2,(H2,15,17).
What are the key properties of 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide?
5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide has a molecular weight of 267.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2,2,2-trifluoroethylamino)benzamide is sourced from PubChem (CID 107193570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).