N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide

C20H21FN2O3 — CID 99842887

IUPACN-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H21FN2O3/c1-13(22-18(24)16-8-5-11-26-16)19(25)23-12-20(9-2-3-10-20)17-14(21)6-4-7-15(17)23/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyQNSZZMWLAAAWSR-ZDUSSCGKSA-N
MW356.40 g/mol
LogP3.40
Rot. Bonds3

About N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 99842887) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID99842887
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H21FN2O3/c1-13(22-18(24)16-8-5-11-26-16)19(25)23-12-20(9-2-3-10-20)17-14(21)6-4-7-15(17)23/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyQNSZZMWLAAAWSR-ZDUSSCGKSA-N
XLogP3.40
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86926583
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129369998
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide (CID 99842887) is N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is QNSZZMWLAAAWSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13(22-18(24)16-8-5-11-26-16)19(25)23-12-20(9-2-3-10-20)17-14(21)6-4-7-15(17)23/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 99842887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).