N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide

C13H18FN3O3 — CID 115953491

IUPACN-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cccc(F)c1OCC(=O)NC(N)=O
InChIInChI=1S/C13H18FN3O3/c1-2-6-16-7-9-4-3-5-10(14)12(9)20-8-11(18)17-13(15)19/h3-5,16H,2,6-8H2,1H3,(H3,15,17,18,19)
InChIKeyZTTMNLAACDMPPJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.90
Rot. Bonds7

About N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide

N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide (PubChem CID 115953491) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
PubChem CID115953491
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cccc(F)c1OCC(=O)NC(N)=O
InChIInChI=1S/C13H18FN3O3/c1-2-6-16-7-9-4-3-5-10(14)12(9)20-8-11(18)17-13(15)19/h3-5,16H,2,6-8H2,1H3,(H3,15,17,18,19)
InChIKeyZTTMNLAACDMPPJ-UHFFFAOYSA-N
XLogP0.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 115953467
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
N-[[3-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 115953412

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide (CID 115953491) is N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide is CCCNCc1cccc(F)c1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is ZTTMNLAACDMPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-2-6-16-7-9-4-3-5-10(14)12(9)20-8-11(18)17-13(15)19/h3-5,16H,2,6-8H2,1H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide?
N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 283.30 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 115953491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).