4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide

C18H27ClN2O — CID 67773337

IUPAC4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCc1cc(C(=O)N(C)C(CN2CCCC2)C(C)C)ccc1Cl
InChIInChI=1S/C18H27ClN2O/c1-13(2)17(12-21-9-5-6-10-21)20(4)18(22)15-7-8-16(19)14(3)11-15/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3
InChIKeyJDGFHMXAVJXOSZ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide

4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (PubChem CID 67773337) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
PubChem CID67773337
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCc1cc(C(=O)N(C)C(CN2CCCC2)C(C)C)ccc1Cl
InChIInChI=1S/C18H27ClN2O/c1-13(2)17(12-21-9-5-6-10-21)20(4)18(22)15-7-8-16(19)14(3)11-15/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3
InChIKeyJDGFHMXAVJXOSZ-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
CID 67773776
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
N-[1-(4-cyanopiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67772411
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;2,3-dihydroxybutanedioic acid
CID 173339527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (CID 67773337) is 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is Cc1cc(C(=O)N(C)C(CN2CCCC2)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The InChIKey is JDGFHMXAVJXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-13(2)17(12-21-9-5-6-10-21)20(4)18(22)15-7-8-16(19)14(3)11-15/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide has a molecular weight of 322.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is sourced from PubChem (CID 67773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).