2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide

C12H16FN3O2 — CID 18159154

IUPAC2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(NC(N)=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H16FN3O2/c1-8(16-12(14)18)11(17)15-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyZPFLDVVUSNFCFJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.54
Rot. Bonds5

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

2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 18159154) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID18159154
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(NC(N)=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H16FN3O2/c1-8(16-12(14)18)11(17)15-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyZPFLDVVUSNFCFJ-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053
N-[1-[3-(4-fluorophenyl)propylamino]-1-oxopropan-2-yl]carbamate
CID 23047132
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
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
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)propanamide
CID 18159601
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 18159154) is 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide is CC(NC(N)=O)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is ZPFLDVVUSNFCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8(16-12(14)18)11(17)15-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,17)(H3,14,16,18).
What are the key properties of 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 253.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 18159154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).