(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide

C14H20FN3O2 — CID 36505869

IUPAC(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-3-16-13(19)10(2)18-14(20)17-9-8-11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1
InChIKeyFILZAROHJKFNSK-JTQLQIEISA-N
MW281.33 g/mol
LogP1.19
Rot. Bonds6

About (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide

(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide (PubChem CID 36505869) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
PubChem CID36505869
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-3-16-13(19)10(2)18-14(20)17-9-8-11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1
InChIKeyFILZAROHJKFNSK-JTQLQIEISA-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

(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-methylbutanoate
CID 2011301
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
CID 23047132
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51165809
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide (CID 36505869) is (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide is CCNC(=O)[C@H](C)NC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide?
The InChIKey is FILZAROHJKFNSK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-16-13(19)10(2)18-14(20)17-9-8-11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide?
(2S)-N-ethyl-2-[2-(4-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 (2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 36505869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).