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

C17H24Cl2N2O — CID 67773029

IUPAC2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H24Cl2N2O/c1-12(2)16(11-21-8-4-5-9-21)20(3)17(22)14-7-6-13(18)10-15(14)19/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3
InChIKeyCLRFJCVOGCLVJD-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.19
Rot. Bonds5

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

2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (PubChem CID 67773029) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
PubChem CID67773029
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H24Cl2N2O/c1-12(2)16(11-21-8-4-5-9-21)20(3)17(22)14-7-6-13(18)10-15(14)19/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3
InChIKeyCLRFJCVOGCLVJD-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
CID 67812706
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67772988
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
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
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-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (CID 67773029) is 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is CC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The InChIKey is CLRFJCVOGCLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-12(2)16(11-21-8-4-5-9-21)20(3)17(22)14-7-6-13(18)10-15(14)19/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide has a molecular weight of 343.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is sourced from PubChem (CID 67773029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).