2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide

C12H18FN3O2 — CID 63592936

IUPAC2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
SMILESCCCOc1cc(N(C)CC(N)=O)c(N)cc1F
InChIInChI=1S/C12H18FN3O2/c1-3-4-18-11-6-10(9(14)5-8(11)13)16(2)7-12(15)17/h5-6H,3-4,7,14H2,1-2H3,(H2,15,17)
InChIKeyFKNCEGXAMBZJFH-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.12
Rot. Bonds6

About 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide

2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide (PubChem CID 63592936) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
PubChem CID63592936
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
SMILESCCCOc1cc(N(C)CC(N)=O)c(N)cc1F
InChIInChI=1S/C12H18FN3O2/c1-3-4-18-11-6-10(9(14)5-8(11)13)16(2)7-12(15)17/h5-6H,3-4,7,14H2,1-2H3,(H2,15,17)
InChIKeyFKNCEGXAMBZJFH-UHFFFAOYSA-N
XLogP1.12
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.12
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

2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
1-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-1-N-methyl-5-propoxybenzene-1,2-diamine
CID 63594095
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070
3-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)butanenitrile
CID 63591941
2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
CID 103106731

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide?
The IUPAC name of 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide (CID 63592936) is 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide?
The canonical SMILES for 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide is CCCOc1cc(N(C)CC(N)=O)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide?
The InChIKey is FKNCEGXAMBZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-3-4-18-11-6-10(9(14)5-8(11)13)16(2)7-12(15)17/h5-6H,3-4,7,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide?
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide has a molecular weight of 255.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide is sourced from PubChem (CID 63592936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).