1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride

C14H18Cl3N3O2 — CID 119293621

IUPAC1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C14H17Cl2N3O2.ClH/c1-8(17)14(21)19-4-2-3-12(19)13(20)18-11-6-9(15)5-10(16)7-11;/h5-8,12H,2-4,17H2,1H3,(H,18,20);1H/t8-,12?;/m0./s1
InChIKeyDSKKXXKCNDTCPQ-VKHOFIGRSA-N
MW366.68 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride

1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119293621) has the molecular formula C14H18Cl3N3O2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119293621
Molecular FormulaC14H18Cl3N3O2
Molecular Weight366.68 g/mol
Exact Mass365.05
IUPAC Name1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C14H17Cl2N3O2.ClH/c1-8(17)14(21)19-4-2-3-12(19)13(20)18-11-6-9(15)5-10(16)7-11;/h5-8,12H,2-4,17H2,1H3,(H,18,20);1H/t8-,12?;/m0./s1
InChIKeyDSKKXXKCNDTCPQ-VKHOFIGRSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.68
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120990196
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2S)-1-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 11902921
N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
CID 55911674

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119293621) is 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride is C[C@H](N)C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DSKKXXKCNDTCPQ-VKHOFIGRSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2.ClH/c1-8(17)14(21)19-4-2-3-12(19)13(20)18-11-6-9(15)5-10(16)7-11;/h5-8,12H,2-4,17H2,1H3,(H,18,20);1H/t8-,12?;/m0./s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 366.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).