N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide

C14H11F3N2O2 — CID 63183956

IUPACN-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O2/c1-21-12-6-8(18)2-3-11(12)19-14(20)7-4-9(15)13(17)10(16)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYNPGHAFBPFDDHQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.95
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide

N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide (PubChem CID 63183956) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
PubChem CID63183956
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O2/c1-21-12-6-8(18)2-3-11(12)19-14(20)7-4-9(15)13(17)10(16)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYNPGHAFBPFDDHQ-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

4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
CID 104850542
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide (CID 63183956) is N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide is COc1cc(N)ccc1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide?
The InChIKey is YNPGHAFBPFDDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-12-6-8(18)2-3-11(12)19-14(20)7-4-9(15)13(17)10(16)5-7/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide?
N-(4-amino-2-methoxyphenyl)-3,4,5-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-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63183956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).