N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide

C15H14F2N2O2 — CID 82797723

IUPACN-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H14F2N2O2/c1-8-3-5-10(16)13(14(8)17)15(20)19-11-7-9(18)4-6-12(11)21-2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyUHNAUABHVRVJGR-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.12
Rot. Bonds3

About N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide

N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82797723) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
PubChem CID82797723
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H14F2N2O2/c1-8-3-5-10(16)13(14(8)17)15(20)19-11-7-9(18)4-6-12(11)21-2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyUHNAUABHVRVJGR-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide (CID 82797723) is N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide is COc1ccc(N)cc1NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is UHNAUABHVRVJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-8-3-5-10(16)13(14(8)17)15(20)19-11-7-9(18)4-6-12(11)21-2/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide?
N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 292.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82797723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).