3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide

C15H17ClF2N2O2 — CID 169216736

IUPAC3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide
SMILESO=C(NCC1CC2(C1)CN(CO)C2)c1cc(F)cc(Cl)c1F
InChIInChI=1S/C15H17ClF2N2O2/c16-12-2-10(17)1-11(13(12)18)14(22)19-5-9-3-15(4-9)6-20(7-15)8-21/h1-2,9,21H,3-8H2,(H,19,22)
InChIKeyVVZPUGLVNRVQBZ-UHFFFAOYSA-N
MW330.76 g/mol
LogP2.01
Rot. Bonds4

About 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide

3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide (PubChem CID 169216736) has the molecular formula C15H17ClF2N2O2 and a molecular weight of 330.76 g/mol. Its IUPAC name is 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide
PubChem CID169216736
Molecular FormulaC15H17ClF2N2O2
Molecular Weight330.76 g/mol
Exact Mass330.09
IUPAC Name3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide
SMILESO=C(NCC1CC2(C1)CN(CO)C2)c1cc(F)cc(Cl)c1F
InChIInChI=1S/C15H17ClF2N2O2/c16-12-2-10(17)1-11(13(12)18)14(22)19-5-9-3-15(4-9)6-20(7-15)8-21/h1-2,9,21H,3-8H2,(H,19,22)
InChIKeyVVZPUGLVNRVQBZ-UHFFFAOYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-fluoro-N-[[2-[(2-methyl-2H-pyrrol-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide
CID 169216732
tert-butylazanide;3-(difluoromethoxy)-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methylbenzamide;tungsten
CID 169216632
CID 163296590
CID 163296590
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118728
ethane;3-fluoro-N-[[2-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethoxy)benzamide
CID 169216787
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
2,5-difluoro-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 107122076
N-[[2-(2-tert-butylsulfanylethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-3-(difluoromethoxy)-5-fluorobenzamide;3-(difluoromethoxy)-5-fluoro-N-[[2-[2-[(3-methyloxetan-3-yl)amino]-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide
CID 169216827
6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 59843539
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide?
The IUPAC name of 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide (CID 169216736) is 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide is O=C(NCC1CC2(C1)CN(CO)C2)c1cc(F)cc(Cl)c1F.
What is the InChIKey of 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide?
The InChIKey is VVZPUGLVNRVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O2/c16-12-2-10(17)1-11(13(12)18)14(22)19-5-9-3-15(4-9)6-20(7-15)8-21/h1-2,9,21H,3-8H2,(H,19,22).
What are the key properties of 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide?
3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide has a molecular weight of 330.76 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-difluoro-N-[[2-(hydroxymethyl)-2-azaspiro[3.3]heptan-6-yl]methyl]benzamide is sourced from PubChem (CID 169216736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).