2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide

C15H16FN3O — CID 61297875

IUPAC2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C15H16FN3O/c1-19(14-4-2-3-12(17)9-14)10-15(20)18-13-7-5-11(16)6-8-13/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyLIQUSTRXOWQQTH-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide

2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 61297875) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID61297875
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C15H16FN3O/c1-19(14-4-2-3-12(17)9-14)10-15(20)18-13-7-5-11(16)6-8-13/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyLIQUSTRXOWQQTH-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.48
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

2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 166855505
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
2-(N-methylanilino)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 32735641

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide (CID 61297875) is 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is LIQUSTRXOWQQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(14-4-2-3-12(17)9-14)10-15(20)18-13-7-5-11(16)6-8-13/h2-9H,10,17H2,1H3,(H,18,20).
What are the key properties of 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide?
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 61297875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).