N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide

C20H24ClFN2O2 — CID 170330258

IUPACN-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
SMILESO=C1NC2(CC1F)CC(C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1)C2
InChIInChI=1S/C20H24ClFN2O2/c21-15-7-3-6-13(8-15)17(12-4-1-2-5-12)23-18(25)14-9-20(10-14)11-16(22)19(26)24-20/h3,6-8,12,14,16-17H,1-2,4-5,9-11H2,(H,23,25)(H,24,26)/t14?,16?,17-,20?/m1/s1
InChIKeyDBTJZAIXVUPLMM-OXLQCPJGSA-N
MW378.88 g/mol
LogP3.69
Rot. Bonds4

About N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide

N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 170330258) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID170330258
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC NameN-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
SMILESO=C1NC2(CC1F)CC(C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1)C2
InChIInChI=1S/C20H24ClFN2O2/c21-15-7-3-6-13(8-15)17(12-4-1-2-5-12)23-18(25)14-9-20(10-14)11-16(22)19(26)24-20/h3,6-8,12,14,16-17H,1-2,4-5,9-11H2,(H,23,25)(H,24,26)/t14?,16?,17-,20?/m1/s1
InChIKeyDBTJZAIXVUPLMM-OXLQCPJGSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide with MolForge

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Related Compounds

N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
CID 170580686
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
N-[(3-chlorophenyl)-cyclopentylmethyl]-7-[(5-cyano-2-pyridinyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170579911
N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170580794
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-2-oxo-1-azaspiro[3.3]heptane-6-carboxamide
CID 170578816
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide (CID 170330258) is N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide is O=C1NC2(CC1F)CC(C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1)C2.
What is the InChIKey of N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is DBTJZAIXVUPLMM-OXLQCPJGSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c21-15-7-3-6-13(8-15)17(12-4-1-2-5-12)23-18(25)14-9-20(10-14)11-16(22)19(26)24-20/h3,6-8,12,14,16-17H,1-2,4-5,9-11H2,(H,23,25)(H,24,26)/t14?,16?,17-,20?/m1/s1.
What are the key properties of N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide?
N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 170330258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).