4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide

C14H11F3N2O2 — CID 104782866

IUPAC4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-12-4-7(2-3-11(12)18)14(20)19-8-5-9(15)13(17)10(16)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyQKJRISGXTNVHSI-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.95
Rot. Bonds3

About 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide

4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 104782866) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID104782866
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-12-4-7(2-3-11(12)18)14(20)19-8-5-9(15)13(17)10(16)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyQKJRISGXTNVHSI-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
CID 104782496
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide (CID 104782866) is 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide is COc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is QKJRISGXTNVHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-12-4-7(2-3-11(12)18)14(20)19-8-5-9(15)13(17)10(16)6-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide?
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide 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 4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 104782866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).