4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide

C15H11ClF4N2O — CID 144695851

IUPAC4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2c(Cl)cc(N)cc2C(F)(F)F)cc1F
InChIInChI=1S/C15H11ClF4N2O/c1-22-14(23)9-3-2-7(4-12(9)17)13-10(15(18,19)20)5-8(21)6-11(13)16/h2-6H,21H2,1H3,(H,22,23)
InChIKeyMYQOYWNEAWLLQB-UHFFFAOYSA-N
MW346.71 g/mol
LogP4.11
Rot. Bonds2

About 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide

4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide (PubChem CID 144695851) has the molecular formula C15H11ClF4N2O and a molecular weight of 346.71 g/mol. Its IUPAC name is 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide
PubChem CID144695851
Molecular FormulaC15H11ClF4N2O
Molecular Weight346.71 g/mol
Exact Mass346.05
IUPAC Name4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2c(Cl)cc(N)cc2C(F)(F)F)cc1F
InChIInChI=1S/C15H11ClF4N2O/c1-22-14(23)9-3-2-7(4-12(9)17)13-10(15(18,19)20)5-8(21)6-11(13)16/h2-6H,21H2,1H3,(H,22,23)
InChIKeyMYQOYWNEAWLLQB-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.71
LogP ≤ 54.11
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

4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chloro-6-(trifluoromethyl)phenyl]-2-fluorobenzoic acid
CID 90391240
2-amino-4-(3-chloro-4-fluorophenyl)-3-methyl-5-(trifluoromethyl)benzoic acid;ethane
CID 164542218
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
(2S)-1-[4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 141413793
3-chloro-4-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 118625299
3-chloro-4-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-(trifluoromethyl)aniline
CID 162593763
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
3-[3-fluoro-4-(methylcarbamoyl)phenyl]-2,2-dimethylpropanoic acid
CID 158706666
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243
3-chloro-4-methylsulfanyl-5-(trifluoromethyl)aniline
CID 118818035
[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
CID 118812382

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide (CID 144695851) is 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2c(Cl)cc(N)cc2C(F)(F)F)cc1F.
What is the InChIKey of 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide?
The InChIKey is MYQOYWNEAWLLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2O/c1-22-14(23)9-3-2-7(4-12(9)17)13-10(15(18,19)20)5-8(21)6-11(13)16/h2-6H,21H2,1H3,(H,22,23).
What are the key properties of 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide?
4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide has a molecular weight of 346.71 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 144695851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).