N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide

C14H10ClF3N2O — CID 107465510

IUPACN-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1F)c1cc(Cl)ccc1N
InChIInChI=1S/C14H10ClF3N2O/c1-20(11-6-7(15)2-5-10(11)19)14(21)8-3-4-9(16)13(18)12(8)17/h2-6H,19H2,1H3
InChIKeyWHMVGYOICGXKAC-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.62
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide

N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide (PubChem CID 107465510) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
PubChem CID107465510
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1F)c1cc(Cl)ccc1N
InChIInChI=1S/C14H10ClF3N2O/c1-20(11-6-7(15)2-5-10(11)19)14(21)8-3-4-9(16)13(18)12(8)17/h2-6H,19H2,1H3
InChIKeyWHMVGYOICGXKAC-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107465812
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
N-(2-amino-5-chlorophenyl)-2-hydroxy-N,3-dimethylbenzamide
CID 107465659
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
N-(2-amino-5-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 107465817
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide (CID 107465510) is N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)c(F)c1F)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide?
The InChIKey is WHMVGYOICGXKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-20(11-6-7(15)2-5-10(11)19)14(21)8-3-4-9(16)13(18)12(8)17/h2-6H,19H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide?
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide has a molecular weight of 314.69 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide is sourced from PubChem (CID 107465510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).