N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide

C16H17FN2O — CID 63257510

IUPACN-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C16H17FN2O/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-8-12(17)4-5-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyGMZUGXPWNRDMAL-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.59
Rot. Bonds2

About N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide

N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide (PubChem CID 63257510) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
PubChem CID63257510
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C16H17FN2O/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-8-12(17)4-5-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyGMZUGXPWNRDMAL-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.59
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-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(2-amino-5-fluorophenyl)-2-hydroxy-5-methylbenzamide
CID 55169166
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
2-amino-N-(2-chloro-5-fluorophenyl)-6-methylbenzamide
CID 107526569

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide (CID 63257510) is N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(F)ccc2N)c(C)c1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide?
The InChIKey is GMZUGXPWNRDMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-8-12(17)4-5-13(14)18/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide?
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 63257510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).