N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide

C21H19FN2O2 — CID 18334245

IUPACN-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(F)c2)c2cccc(N)c2)cc1
InChIInChI=1S/C21H19FN2O2/c1-26-19-10-8-14(9-11-19)20(15-4-3-7-18(23)13-15)24-21(25)16-5-2-6-17(22)12-16/h2-13,20H,23H2,1H3,(H,24,25)
InChIKeyRQLGXNYIPOTEFY-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.94
Rot. Bonds5

About N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide

N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide (PubChem CID 18334245) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
PubChem CID18334245
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(F)c2)c2cccc(N)c2)cc1
InChIInChI=1S/C21H19FN2O2/c1-26-19-10-8-14(9-11-19)20(15-4-3-7-18(23)13-15)24-21(25)16-5-2-6-17(22)12-16/h2-13,20H,23H2,1H3,(H,24,25)
InChIKeyRQLGXNYIPOTEFY-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.94
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-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
CID 55824777
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
CID 134050485
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline
CID 18334236
3-[(4-fluorophenyl)-[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]aniline
CID 70189793
N-(2-amino-5-methoxyphenyl)-3-fluorobenzamide
CID 63258141
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 24596783

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide (CID 18334245) is N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide is COc1ccc(C(NC(=O)c2cccc(F)c2)c2cccc(N)c2)cc1.
What is the InChIKey of N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide?
The InChIKey is RQLGXNYIPOTEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-26-19-10-8-14(9-11-19)20(15-4-3-7-18(23)13-15)24-21(25)16-5-2-6-17(22)12-16/h2-13,20H,23H2,1H3,(H,24,25).
What are the key properties of N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide?
N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide has a molecular weight of 350.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 18334245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).