N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide

C19H22F2N2O2 — CID 154579518

IUPACN-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)c2ccc(F)cc2F)CC12CCC2
InChIInChI=1S/C19H22F2N2O2/c20-13-4-5-14(16(21)8-13)18(25)23-10-15(19(11-23)6-1-7-19)17(24)22-9-12-2-3-12/h4-5,8,12,15H,1-3,6-7,9-11H2,(H,22,24)
InChIKeyUHLSWVUUBOOIQN-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.73
Rot. Bonds4

About N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide

N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579518) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579518
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC NameN-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)c2ccc(F)cc2F)CC12CCC2
InChIInChI=1S/C19H22F2N2O2/c20-13-4-5-14(16(21)8-13)18(25)23-10-15(19(11-23)6-1-7-19)17(24)22-9-12-2-3-12/h4-5,8,12,15H,1-3,6-7,9-11H2,(H,22,24)
InChIKeyUHLSWVUUBOOIQN-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924934
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881364
N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 155881305
N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077997
N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 154579514
N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579548
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155876734
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
CID 91922183
N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739595

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579518) is N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide is O=C(NCC1CC1)C1CN(C(=O)c2ccc(F)cc2F)CC12CCC2.
What is the InChIKey of N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is UHLSWVUUBOOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-13-4-5-14(16(21)8-13)18(25)23-10-15(19(11-23)6-1-7-19)17(24)22-9-12-2-3-12/h4-5,8,12,15H,1-3,6-7,9-11H2,(H,22,24).
What are the key properties of N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).