2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide

C9H8ClF3N2O — CID 24707243

IUPAC2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O/c10-5-1-2-6(7(14)3-5)8(16)15-4-9(11,12)13/h1-3H,4,14H2,(H,15,16)
InChIKeyDPSBCTQGQGTCGQ-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide

2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 24707243) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID24707243
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O/c10-5-1-2-6(7(14)3-5)8(16)15-4-9(11,12)13/h1-3H,4,14H2,(H,15,16)
InChIKeyDPSBCTQGQGTCGQ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.21
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

2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61110031
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021
2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide (CID 24707243) is 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide is Nc1cc(Cl)ccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DPSBCTQGQGTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-5-1-2-6(7(14)3-5)8(16)15-4-9(11,12)13/h1-3H,4,14H2,(H,15,16).
What are the key properties of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 252.62 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 24707243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).