N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride

C15H20Cl3N3O2 — CID 119634053

IUPACN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-9(15(22)20-7-3-4-10(20)8-18)19-14(21)11-5-2-6-12(16)13(11)17;/h2,5-6,9-10H,3-4,7-8,18H2,1H3,(H,19,21);1H
InChIKeyNLRLMFPVJBYAQB-UHFFFAOYSA-N
MW380.70 g/mol
LogP2.48
Rot. Bonds4

About N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride (PubChem CID 119634053) has the molecular formula C15H20Cl3N3O2 and a molecular weight of 380.70 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
PubChem CID119634053
Molecular FormulaC15H20Cl3N3O2
Molecular Weight380.70 g/mol
Exact Mass379.06
IUPAC NameN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-9(15(22)20-7-3-4-10(20)8-18)19-14(21)11-5-2-6-12(16)13(11)17;/h2,5-6,9-10H,3-4,7-8,18H2,1H3,(H,19,21);1H
InChIKeyNLRLMFPVJBYAQB-UHFFFAOYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119469184
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119634260
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119631111
2,3-dichloro-N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 89268352
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
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
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride (CID 119634053) is N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC1CN.Cl.
What is the InChIKey of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
The InChIKey is NLRLMFPVJBYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2.ClH/c1-9(15(22)20-7-3-4-10(20)8-18)19-14(21)11-5-2-6-12(16)13(11)17;/h2,5-6,9-10H,3-4,7-8,18H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride has a molecular weight of 380.70 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119634053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).