5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide

C14H10ClF3N2O — CID 28543225

IUPAC5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3N2O/c15-12-5-4-9(19)7-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyZMABEJSMROLMNS-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.19
Rot. Bonds2

About 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide

5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 28543225) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID28543225
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3N2O/c15-12-5-4-9(19)7-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyZMABEJSMROLMNS-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.19
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

5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 59652745
2-chloro-5-iodo-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 2205811

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 28543225) is 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZMABEJSMROLMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-12-5-4-9(19)7-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h1-7H,19H2,(H,20,21).
What are the key properties of 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide?
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 314.69 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 28543225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).