N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide

C14H20FN3O2 — CID 42928317

IUPACN-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
SMILESCCNC(=O)C(C)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-3-16-13(19)10(2)18-14(20)17-9-8-11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyZYUXDXCZWVXYNA-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.19
Rot. Bonds6

About N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide

N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide (PubChem CID 42928317) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
PubChem CID42928317
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
SMILESCCNC(=O)C(C)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-3-16-13(19)10(2)18-14(20)17-9-8-11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyZYUXDXCZWVXYNA-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide?
The IUPAC name of N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide (CID 42928317) is N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide?
The canonical SMILES for N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide is CCNC(=O)C(C)NC(=O)NCCc1ccccc1F.
What is the InChIKey of N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide?
The InChIKey is ZYUXDXCZWVXYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-16-13(19)10(2)18-14(20)17-9-8-11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide?
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 42928317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).