2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C18H27ClN2O — CID 15130809

IUPAC2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-14(2)17(13-21-10-4-5-11-21)20(3)18(22)12-15-6-8-16(19)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
InChIKeyFNMFSRSDQFHRQA-QGZVFWFLSA-N
MW322.88 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 15130809) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID15130809
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-14(2)17(13-21-10-4-5-11-21)20(3)18(22)12-15-6-8-16(19)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1
InChIKeyFNMFSRSDQFHRQA-QGZVFWFLSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
CID 3505
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
GR-103545
CID 6603856
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
Lpk-26
CID 10043746
(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
CID 9972202
BRL 52537 hydrochloride
CID 11315337
1-[(3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]propan-1-one
CID 10342393
(S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)-1-(pyrrolidin-1-yl)ethyl)piperazine-1-carboxylate
CID 11069974
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 15130809) is 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is FNMFSRSDQFHRQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14(2)17(13-21-10-4-5-11-21)20(3)18(22)12-15-6-8-16(19)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 322.88 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 15130809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).