N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide

C18H23Cl2N3O — CID 55828776

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O/c1-12(2)18(3,11-21)22-17(24)10-23-8-4-5-16(23)13-6-7-14(19)15(20)9-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3,(H,22,24)
InChIKeySVKBYMRVYDWXHB-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.18
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide (PubChem CID 55828776) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
PubChem CID55828776
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O/c1-12(2)18(3,11-21)22-17(24)10-23-8-4-5-16(23)13-6-7-14(19)15(20)9-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3,(H,22,24)
InChIKeySVKBYMRVYDWXHB-UHFFFAOYSA-N
XLogP4.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 11934251
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 94418866
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95630586
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55839490
2-(2-chloro-4-methylphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 22104897
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 100844062
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 46564193
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]acetamide
CID 98799581
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide (CID 55828776) is N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide is CC(C)C(C)(C#N)NC(=O)CN1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is SVKBYMRVYDWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-12(2)18(3,11-21)22-17(24)10-23-8-4-5-16(23)13-6-7-14(19)15(20)9-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3,(H,22,24).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 368.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55828776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).