N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide

C16H18FN3O — CID 62002218

IUPACN-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
SMILESCc1cccc(N(C)CC(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C16H18FN3O/c1-11-4-3-5-13(8-11)20(2)10-16(21)19-15-9-12(18)6-7-14(15)17/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyWJNLOSYGDXVYDH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.79
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide

N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide (PubChem CID 62002218) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
PubChem CID62002218
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
SMILESCc1cccc(N(C)CC(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C16H18FN3O/c1-11-4-3-5-13(8-11)20(2)10-16(21)19-15-9-12(18)6-7-14(15)17/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyWJNLOSYGDXVYDH-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.79
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-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
CID 52689468
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
N-(2,5-difluorophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593308
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426513

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide (CID 62002218) is N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide is Cc1cccc(N(C)CC(=O)Nc2cc(N)ccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide?
The InChIKey is WJNLOSYGDXVYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-4-3-5-13(8-11)20(2)10-16(21)19-15-9-12(18)6-7-14(15)17/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide?
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide is sourced from PubChem (CID 62002218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).