2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide

C14H9ClF4N2O — CID 110452028

IUPAC2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF4N2O/c15-10-5-4-7(6-9(10)14(17,18)19)21-13(22)8-2-1-3-11(16)12(8)20/h1-6H,20H2,(H,21,22)
InChIKeySPQQQFSZODSHHD-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.33
Rot. Bonds2

About 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide

2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide (PubChem CID 110452028) has the molecular formula C14H9ClF4N2O and a molecular weight of 332.68 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
PubChem CID110452028
Molecular FormulaC14H9ClF4N2O
Molecular Weight332.68 g/mol
Exact Mass332.03
IUPAC Name2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF4N2O/c15-10-5-4-7(6-9(10)14(17,18)19)21-13(22)8-2-1-3-11(16)12(8)20/h1-6H,20H2,(H,21,22)
InChIKeySPQQQFSZODSHHD-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 54.33
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-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-6-nitrobenzoic acid
CID 51035704
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide (CID 110452028) is 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide is Nc1c(F)cccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide?
The InChIKey is SPQQQFSZODSHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O/c15-10-5-4-7(6-9(10)14(17,18)19)21-13(22)8-2-1-3-11(16)12(8)20/h1-6H,20H2,(H,21,22).
What are the key properties of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide?
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide has a molecular weight of 332.68 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 110452028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).