2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H9ClF4N2O — CID 114168954

IUPAC2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H9ClF4N2O/c11-5-2-1-3-6(16)7(5)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4,16H2,(H,17,18)
InChIKeyVUTBRGULZVBVMT-UHFFFAOYSA-N
MW284.64 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide

2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 114168954) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID114168954
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC Name2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H9ClF4N2O/c11-5-2-1-3-6(16)7(5)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4,16H2,(H,17,18)
InChIKeyVUTBRGULZVBVMT-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63863725
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106289141
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 114168954) is 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide is Nc1cccc(Cl)c1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is VUTBRGULZVBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c11-5-2-1-3-6(16)7(5)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4,16H2,(H,17,18).
What are the key properties of 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 284.64 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 114168954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).