N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide

C15H18FN3O2 — CID 61426513

IUPACN-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
SMILESCc1occc1CN(C)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H18FN3O2/c1-10-11(5-6-21-10)8-19(2)9-15(20)18-14-7-12(17)3-4-13(14)16/h3-7H,8-9,17H2,1-2H3,(H,18,20)
InChIKeyDJYRDSIDIMIPOA-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.38
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide

N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide (PubChem CID 61426513) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
PubChem CID61426513
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
SMILESCc1occc1CN(C)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H18FN3O2/c1-10-11(5-6-21-10)8-19(2)9-15(20)18-14-7-12(17)3-4-13(14)16/h3-7H,8-9,17H2,1-2H3,(H,18,20)
InChIKeyDJYRDSIDIMIPOA-UHFFFAOYSA-N
XLogP2.38
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
N-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide (CID 61426513) is N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide is Cc1occc1CN(C)CC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
The InChIKey is DJYRDSIDIMIPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-11(5-6-21-10)8-19(2)9-15(20)18-14-7-12(17)3-4-13(14)16/h3-7H,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 61426513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).