N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

C14H17Cl2N3O2 — CID 119412842

IUPACN-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(14(21)19-6-5-9(17)7-19)18-13(20)10-3-2-4-11(15)12(10)16/h2-4,8-9H,5-7,17H2,1H3,(H,18,20)/t8?,9-/m1/s1
InChIKeyVWINUTHVXRUSDP-YGPZHTELSA-N
MW330.22 g/mol
LogP1.67
Rot. Bonds3

About N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (PubChem CID 119412842) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
PubChem CID119412842
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(14(21)19-6-5-9(17)7-19)18-13(20)10-3-2-4-11(15)12(10)16/h2-4,8-9H,5-7,17H2,1H3,(H,18,20)/t8?,9-/m1/s1
InChIKeyVWINUTHVXRUSDP-YGPZHTELSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55838422
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119469184
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119634053
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
2,3-dichloro-N-[1-[4-(1-cyano-2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 56586104
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119411142
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 119410326
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (CID 119412842) is N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The InChIKey is VWINUTHVXRUSDP-YGPZHTELSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8(14(21)19-6-5-9(17)7-19)18-13(20)10-3-2-4-11(15)12(10)16/h2-4,8-9H,5-7,17H2,1H3,(H,18,20)/t8?,9-/m1/s1.
What are the key properties of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide has a molecular weight of 330.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 119412842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).