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

C9H10ClF2N3O — CID 107196439

IUPAC5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(F)F
InChIInChI=1S/C9H10ClF2N3O/c10-6-2-4(13)1-5(9(14)16)8(6)15-3-7(11)12/h1-2,7,15H,3,13H2,(H2,14,16)
InChIKeyHZTIRNJIJHWXKV-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.70
Rot. Bonds4

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

5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide (PubChem CID 107196439) has the molecular formula C9H10ClF2N3O and a molecular weight of 249.65 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide
PubChem CID107196439
Molecular FormulaC9H10ClF2N3O
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(F)F
InChIInChI=1S/C9H10ClF2N3O/c10-6-2-4(13)1-5(9(14)16)8(6)15-3-7(11)12/h1-2,7,15H,3,13H2,(H2,14,16)
InChIKeyHZTIRNJIJHWXKV-UHFFFAOYSA-N
XLogP1.70
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.70
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-difluoroethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide (CID 107196439) is 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCC(F)F.
What is the InChIKey of 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide?
The InChIKey is HZTIRNJIJHWXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O/c10-6-2-4(13)1-5(9(14)16)8(6)15-3-7(11)12/h1-2,7,15H,3,13H2,(H2,14,16).
What are the key properties of 5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide?
5-amino-3-chloro-2-(2,2-difluoroethylamino)benzamide has a molecular weight of 249.65 g/mol, XLogP of 1.70, 4 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-difluoroethylamino)benzamide is sourced from PubChem (CID 107196439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).