N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide

C29H34F2N2O4 — CID 171683997

IUPACN-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC2CCC23CCN(C(=O)c2ccc(OCC4CC4)c(F)c2)CC3)c(F)c1
InChIInChI=1S/C29H34F2N2O4/c1-18(2)37-21-6-7-22(23(30)16-21)27(34)32-26-9-10-29(26)11-13-33(14-12-29)28(35)20-5-8-25(24(31)15-20)36-17-19-3-4-19/h5-8,15-16,18-19,26H,3-4,9-14,17H2,1-2H3,(H,32,34)
InChIKeyRSQKXTBJIVJIIU-UHFFFAOYSA-N
MW512.60 g/mol
LogP5.36
Rot. Bonds8

About N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide

N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide (PubChem CID 171683997) has the molecular formula C29H34F2N2O4 and a molecular weight of 512.60 g/mol. Its IUPAC name is N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide
PubChem CID171683997
Molecular FormulaC29H34F2N2O4
Molecular Weight512.60 g/mol
Exact Mass512.25
IUPAC NameN-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC2CCC23CCN(C(=O)c2ccc(OCC4CC4)c(F)c2)CC3)c(F)c1
InChIInChI=1S/C29H34F2N2O4/c1-18(2)37-21-6-7-22(23(30)16-21)27(34)32-26-9-10-29(26)11-13-33(14-12-29)28(35)20-5-8-25(24(31)15-20)36-17-19-3-4-19/h5-8,15-16,18-19,26H,3-4,9-14,17H2,1-2H3,(H,32,34)
InChIKeyRSQKXTBJIVJIIU-UHFFFAOYSA-N
XLogP5.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]butanamide
CID 171681147
2-(4-chlorophenyl)-N-[7-[3-(cyclopropylmethoxy)-4-methoxybenzoyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
CID 171698861
2-(4-chlorophenyl)-N-[7-[4-(cyclopropylmethoxy)-2-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-(dimethylamino)acetamide
CID 171683371
4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171685278
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
N-[2-[2-(4-bromo-2-methoxyphenyl)acetyl]-2-azaspiro[4.5]decan-8-yl]-4-(cyclopropylmethoxy)-3-fluorobenzamide
CID 171698874

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide?
The IUPAC name of N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide (CID 171683997) is N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC2CCC23CCN(C(=O)c2ccc(OCC4CC4)c(F)c2)CC3)c(F)c1.
What is the InChIKey of N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide?
The InChIKey is RSQKXTBJIVJIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N2O4/c1-18(2)37-21-6-7-22(23(30)16-21)27(34)32-26-9-10-29(26)11-13-33(14-12-29)28(35)20-5-8-25(24(31)15-20)36-17-19-3-4-19/h5-8,15-16,18-19,26H,3-4,9-14,17H2,1-2H3,(H,32,34).
What are the key properties of N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide?
N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide has a molecular weight of 512.60 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-7-azaspiro[3.5]nonan-3-yl]-2-fluoro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 171683997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).