2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide

C13H18FN3O2 — CID 43084409

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-9(12(18)17-13(19)15-2)16-8-7-10-5-3-4-6-11(10)14/h3-6,9,16H,7-8H2,1-2H3,(H2,15,17,18,19)
InChIKeyLVTSASRPWBBOLA-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.80
Rot. Bonds5

About 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide

2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 43084409) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
PubChem CID43084409
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-9(12(18)17-13(19)15-2)16-8-7-10-5-3-4-6-11(10)14/h3-6,9,16H,7-8H2,1-2H3,(H2,15,17,18,19)
InChIKeyLVTSASRPWBBOLA-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
CID 43536690
N-(methylcarbamoyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]propanamide
CID 113434460
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide (CID 43084409) is 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is LVTSASRPWBBOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(12(18)17-13(19)15-2)16-8-7-10-5-3-4-6-11(10)14/h3-6,9,16H,7-8H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide?
2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 267.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).