N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide

C19H27ClN2O — CID 56648033

IUPACN-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1CC(c2ccc(CN3CCCC3)c(Cl)c2)C1
InChIInChI=1S/C19H27ClN2O/c1-14(23)21(2)12-15-9-18(10-15)16-5-6-17(19(20)11-16)13-22-7-3-4-8-22/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3
InChIKeyLQOGSAVOXSCLHL-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.91
Rot. Bonds5

About N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide

N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide (PubChem CID 56648033) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide
PubChem CID56648033
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC NameN-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1CC(c2ccc(CN3CCCC3)c(Cl)c2)C1
InChIInChI=1S/C19H27ClN2O/c1-14(23)21(2)12-15-9-18(10-15)16-5-6-17(19(20)11-16)13-22-7-3-4-8-22/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3
InChIKeyLQOGSAVOXSCLHL-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-{4-[1-(5-chloro-2-fluorobenzyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-1-ethanone
CID 91921302
N-(3-{[(2-Chlorobiphenyl-4-Yl)methyl]amino}propyl)acetamide
CID 122391188
[4-[1-[(4-Chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-cyclobutylmethanone
CID 45240719
N-[3-[(3-chloro-4-phenylphenyl)methylamino]propyl]acetamide;hydrochloride
CID 137647515
[1-(2-Chlorobenzyl)piperidin-4-yl](pyrrolidin-1-yl)methanone
CID 883957
1-[2-(2-Chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 50747008
1-[2-(2-Chlorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 50747023
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 134796599
[1-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134801371
1-[4-[1-[(2-Chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 71927767
N-(3-chloro-2-methylbenzyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 77087995
1-[3-[[2-(3-Chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 91650668

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide (CID 56648033) is N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide is CC(=O)N(C)CC1CC(c2ccc(CN3CCCC3)c(Cl)c2)C1.
What is the InChIKey of N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide?
The InChIKey is LQOGSAVOXSCLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-14(23)21(2)12-15-9-18(10-15)16-5-6-17(19(20)11-16)13-22-7-3-4-8-22/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide?
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide has a molecular weight of 334.89 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]-N-methylacetamide is sourced from PubChem (CID 56648033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).