N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide

C15H15FN2O — CID 16771732

IUPACN-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C15H15FN2O/c1-9-5-10(2)7-11(6-9)15(19)18-14-8-12(17)3-4-13(14)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyRTMSQWBOXKNANN-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide

N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide (PubChem CID 16771732) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
PubChem CID16771732
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C15H15FN2O/c1-9-5-10(2)7-11(6-9)15(19)18-14-8-12(17)3-4-13(14)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyRTMSQWBOXKNANN-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.28
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-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2-fluorophenyl)-3-methyl-4-nitrobenzamide
CID 43600154
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120
3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
CID 103584318
N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 137353811
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide (CID 16771732) is N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cc(N)ccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide?
The InChIKey is RTMSQWBOXKNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-5-10(2)7-11(6-9)15(19)18-14-8-12(17)3-4-13(14)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide?
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 3.28, 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)-3,5-dimethylbenzamide is sourced from PubChem (CID 16771732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).