N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide

C14H11F3N2O2 — CID 65100627

IUPACN-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
SMILESCOc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-12-3-2-8(6-11(12)18)19-14(20)13-9(16)4-7(15)5-10(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyXGFZOGSRQWIXQQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.95
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide

N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide (PubChem CID 65100627) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
PubChem CID65100627
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
SMILESCOc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-12-3-2-8(6-11(12)18)19-14(20)13-9(16)4-7(15)5-10(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyXGFZOGSRQWIXQQ-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.95
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-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide (CID 65100627) is N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide is COc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide?
The InChIKey is XGFZOGSRQWIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-12-3-2-8(6-11(12)18)19-14(20)13-9(16)4-7(15)5-10(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide?
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide has a molecular weight of 296.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65100627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).