N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide

C14H17ClN2O — CID 97374347

IUPACN-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC2(CC1)CC2
InChIInChI=1S/C14H17ClN2O/c15-11-3-1-2-4-12(11)16-13(18)17-9-7-14(5-6-14)8-10-17/h1-4H,5-10H2,(H,16,18)
InChIKeyMHCZKVUALOAAJD-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.75
Rot. Bonds1

About N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide

N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 97374347) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID97374347
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC2(CC1)CC2
InChIInChI=1S/C14H17ClN2O/c15-11-3-1-2-4-12(11)16-13(18)17-9-7-14(5-6-14)8-10-17/h1-4H,5-10H2,(H,16,18)
InChIKeyMHCZKVUALOAAJD-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 40638803
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911561
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 46268599
N-(2-chlorophenyl)-4-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carboxamide
CID 97331514
4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536495
4-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536494
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide (CID 97374347) is N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide is O=C(Nc1ccccc1Cl)N1CCC2(CC1)CC2.
What is the InChIKey of N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is MHCZKVUALOAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-3-1-2-4-12(11)16-13(18)17-9-7-14(5-6-14)8-10-17/h1-4H,5-10H2,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide?
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 97374347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).