4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide

C16H18FN3O — CID 63357263

IUPAC4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NC(C)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FN3O/c1-10(11-4-3-5-13(17)8-11)20-15-9-12(16(21)19-2)6-7-14(15)18/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyXPCANOAUQGYCFV-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds4

About 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide

4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 63357263) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
PubChem CID63357263
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NC(C)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FN3O/c1-10(11-4-3-5-13(17)8-11)20-15-9-12(16(21)19-2)6-7-14(15)18/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyXPCANOAUQGYCFV-UHFFFAOYSA-N
XLogP2.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43720989
4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
CID 63357203
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
methyl 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzoate
CID 82776037
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide (CID 63357263) is 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NC(C)c2cccc(F)c2)c1.
What is the InChIKey of 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is XPCANOAUQGYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(11-4-3-5-13(17)8-11)20-15-9-12(16(21)19-2)6-7-14(15)18/h3-10,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 63357263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).