N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide

C14H9F5N2O — CID 137353811

IUPACN-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
SMILESNc1ccc(F)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F5N2O/c15-9-4-7(3-8(5-9)14(17,18)19)13(22)21-12-6-10(20)1-2-11(12)16/h1-6H,20H2,(H,21,22)
InChIKeyFCBLAICIGJUZDL-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.82
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide

N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 137353811) has the molecular formula C14H9F5N2O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID137353811
Molecular FormulaC14H9F5N2O
Molecular Weight316.23 g/mol
Exact Mass316.06
IUPAC NameN-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
SMILESNc1ccc(F)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F5N2O/c15-9-4-7(3-8(5-9)14(17,18)19)13(22)21-12-6-10(20)1-2-11(12)16/h1-6H,20H2,(H,21,22)
InChIKeyFCBLAICIGJUZDL-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.82
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

N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435306
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide (CID 137353811) is N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide is Nc1ccc(F)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is FCBLAICIGJUZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O/c15-9-4-7(3-8(5-9)14(17,18)19)13(22)21-12-6-10(20)1-2-11(12)16/h1-6H,20H2,(H,21,22).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 137353811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).