(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide

C18H24FN3O2 — CID 124856355

IUPAC(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide
SMILESC[C@H](N[C@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H24FN3O2/c1-11(17(23)22-18(24)21-14-9-10-14)20-16-4-2-3-15(16)12-5-7-13(19)8-6-12/h5-8,11,14-16,20H,2-4,9-10H2,1H3,(H2,21,22,23,24)/t11-,15-,16-/m0/s1
InChIKeyJFLHIWRESIMGIU-UVBJJODRSA-N
MW333.41 g/mol
LogP2.43
Rot. Bonds5

About (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide

(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide (PubChem CID 124856355) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide
PubChem CID124856355
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide
SMILESC[C@H](N[C@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H24FN3O2/c1-11(17(23)22-18(24)21-14-9-10-14)20-16-4-2-3-15(16)12-5-7-13(19)8-6-12/h5-8,11,14-16,20H,2-4,9-10H2,1H3,(H2,21,22,23,24)/t11-,15-,16-/m0/s1
InChIKeyJFLHIWRESIMGIU-UVBJJODRSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide with MolForge

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Related Compounds

N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 124845421
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
CID 100652811
(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975280
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
CID 111507674
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97077943
trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine
CID 97101779
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665
(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870587

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide?
The IUPAC name of (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide (CID 124856355) is (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide?
The canonical SMILES for (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide is C[C@H](N[C@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide?
The InChIKey is JFLHIWRESIMGIU-UVBJJODRSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11(17(23)22-18(24)21-14-9-10-14)20-16-4-2-3-15(16)12-5-7-13(19)8-6-12/h5-8,11,14-16,20H,2-4,9-10H2,1H3,(H2,21,22,23,24)/t11-,15-,16-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide?
(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide is sourced from PubChem (CID 124856355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).