N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide

C14H11F3N2O — CID 63183667

IUPACN-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)c(F)c(F)c2)ccc1N
InChIInChI=1S/C14H11F3N2O/c1-7-4-9(2-3-12(7)18)19-14(20)8-5-10(15)13(17)11(16)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOLKSPQKQGYEUQV-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.25
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide

N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide (PubChem CID 63183667) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
PubChem CID63183667
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)c(F)c(F)c2)ccc1N
InChIInChI=1S/C14H11F3N2O/c1-7-4-9(2-3-12(7)18)19-14(20)8-5-10(15)13(17)11(16)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOLKSPQKQGYEUQV-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
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-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide (CID 63183667) is N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide is Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide?
The InChIKey is OLKSPQKQGYEUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-4-9(2-3-12(7)18)19-14(20)8-5-10(15)13(17)11(16)6-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide?
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide has a molecular weight of 280.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63183667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).