N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide

C19H27F2N3O — CID 119065239

IUPACN-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
SMILESCN1CCC2(CCCN(C(=O)NCc3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C19H27F2N3O/c1-23-10-6-19(7-11-23)5-2-9-24(12-8-19)18(25)22-14-15-3-4-16(20)13-17(15)21/h3-4,13H,2,5-12,14H2,1H3,(H,22,25)
InChIKeyDTFJUXHVTOGNIL-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.37
Rot. Bonds2

About N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide (PubChem CID 119065239) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
PubChem CID119065239
Molecular FormulaC19H27F2N3O
Molecular Weight351.44 g/mol
Exact Mass351.21
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
SMILESCN1CCC2(CCCN(C(=O)NCc3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C19H27F2N3O/c1-23-10-6-19(7-11-23)5-2-9-24(12-8-19)18(25)22-14-15-3-4-16(20)13-17(15)21/h3-4,13H,2,5-12,14H2,1H3,(H,22,25)
InChIKeyDTFJUXHVTOGNIL-UHFFFAOYSA-N
XLogP3.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167709873
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
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(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
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4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
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CID 108897499
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
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CID 62228717
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide (CID 119065239) is N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide is CN1CCC2(CCCN(C(=O)NCc3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide?
The InChIKey is DTFJUXHVTOGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O/c1-23-10-6-19(7-11-23)5-2-9-24(12-8-19)18(25)22-14-15-3-4-16(20)13-17(15)21/h3-4,13H,2,5-12,14H2,1H3,(H,22,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide?
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide is sourced from PubChem (CID 119065239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).