[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

C15H17FN2O3 — CID 146198191

IUPAC[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)O)(C1)C2
InChIInChI=1S/C15H17FN2O3/c1-9(12(19)17-11-4-2-10(16)3-5-11)14-6-15(7-14,8-14)18-13(20)21/h2-5,9,18H,6-8H2,1H3,(H,17,19)(H,20,21)/t9-,14?,15?/m1/s1
InChIKeyPZLQABVQVZUHIR-WFJJYUMRSA-N
MW292.31 g/mol
LogP2.59
Rot. Bonds4

About [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (PubChem CID 146198191) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.

Molecular Properties

Compound Name[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
PubChem CID146198191
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)O)(C1)C2
InChIInChI=1S/C15H17FN2O3/c1-9(12(19)17-11-4-2-10(16)3-5-11)14-6-15(7-14,8-14)18-13(20)21/h2-5,9,18H,6-8H2,1H3,(H,17,19)(H,20,21)/t9-,14?,15?/m1/s1
InChIKeyPZLQABVQVZUHIR-WFJJYUMRSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide
CID 146198128
3-chloro-4-fluoro-N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198111
3-chloro-4-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198112
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
(2S)-N-(4-fluorophenyl)-2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146198362
N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-7-carboxamide
CID 146198284
N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]isoquinoline-5-carboxamide
CID 146198224
cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204290

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The IUPAC name of [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (CID 146198191) is [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.
What is the SMILES notation for [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The canonical SMILES for [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)O)(C1)C2.
What is the InChIKey of [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The InChIKey is PZLQABVQVZUHIR-WFJJYUMRSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9(12(19)17-11-4-2-10(16)3-5-11)14-6-15(7-14,8-14)18-13(20)21/h2-5,9,18H,6-8H2,1H3,(H,17,19)(H,20,21)/t9-,14?,15?/m1/s1.
What are the key properties of [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid has a molecular weight of 292.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is sourced from PubChem (CID 146198191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).