(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide

C14H17FN2O — CID 146198128

IUPAC(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)C12CC(N)(C1)C2
InChIInChI=1S/C14H17FN2O/c1-9(13-6-14(16,7-13)8-13)12(18)17-11-4-2-10(15)3-5-11/h2-5,9H,6-8,16H2,1H3,(H,17,18)/t9-,13?,14?/m1/s1
InChIKeyHVZVGISEAHGMEY-BZFQTPOWSA-N
MW248.30 g/mol
LogP2.28
Rot. Bonds3

About (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide

(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide (PubChem CID 146198128) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide
PubChem CID146198128
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)C12CC(N)(C1)C2
InChIInChI=1S/C14H17FN2O/c1-9(13-6-14(16,7-13)8-13)12(18)17-11-4-2-10(15)3-5-11/h2-5,9H,6-8,16H2,1H3,(H,17,18)/t9-,13?,14?/m1/s1
InChIKeyHVZVGISEAHGMEY-BZFQTPOWSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146198191
tert-butyl 2-[3-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]acetate
CID 159794941
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
3-chloro-4-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198112
3-chloro-4-fluoro-N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198111
4-chloro-3-fluoro-N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198219
(2S)-2-[3-[(3-chlorophenyl)carbamoylamino]-1-bicyclo[1.1.1]pentanyl]-N-(4-fluorophenyl)propanamide
CID 162499057
3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198119
6-chloro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 146198181
N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]-3-(trifluoromethyl)benzamide
CID 162499129
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
(2S)-N-(4-fluorophenyl)-2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146198362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide (CID 146198128) is (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(N)(C1)C2.
What is the InChIKey of (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide?
The InChIKey is HVZVGISEAHGMEY-BZFQTPOWSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9(13-6-14(16,7-13)8-13)12(18)17-11-4-2-10(15)3-5-11/h2-5,9H,6-8,16H2,1H3,(H,17,18)/t9-,13?,14?/m1/s1.
What are the key properties of (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide?
(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide has a molecular weight of 248.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 146198128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).