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

C10H10ClF4N3O — CID 106295406

IUPAC5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(F)(F)C(F)F
InChIInChI=1S/C10H10ClF4N3O/c11-6-2-4(16)1-5(8(17)19)7(6)18-3-10(14,15)9(12)13/h1-2,9,18H,3,16H2,(H2,17,19)
InChIKeyTXENZXWKVFHRCY-UHFFFAOYSA-N
MW299.66 g/mol
LogP2.33
Rot. Bonds5

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

5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide (PubChem CID 106295406) has the molecular formula C10H10ClF4N3O and a molecular weight of 299.66 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide
PubChem CID106295406
Molecular FormulaC10H10ClF4N3O
Molecular Weight299.66 g/mol
Exact Mass299.04
IUPAC Name5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(F)(F)C(F)F
InChIInChI=1S/C10H10ClF4N3O/c11-6-2-4(16)1-5(8(17)19)7(6)18-3-10(14,15)9(12)13/h1-2,9,18H,3,16H2,(H2,17,19)
InChIKeyTXENZXWKVFHRCY-UHFFFAOYSA-N
XLogP2.33
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.66
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide (CID 106295406) is 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCC(F)(F)C(F)F.
What is the InChIKey of 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide?
The InChIKey is TXENZXWKVFHRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4N3O/c11-6-2-4(16)1-5(8(17)19)7(6)18-3-10(14,15)9(12)13/h1-2,9,18H,3,16H2,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide?
5-amino-3-chloro-2-(2,2,3,3-tetrafluoropropylamino)benzamide has a molecular weight of 299.66 g/mol, XLogP of 2.33, 5 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-(2,2,3,3-tetrafluoropropylamino)benzamide is sourced from PubChem (CID 106295406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).