N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride

C15H20Cl3N3O2 — CID 120507098

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-9(8-18)19-14(21)13-3-2-6-20(13)15(22)11-7-10(16)4-5-12(11)17;/h4-5,7,9,13H,2-3,6,8,18H2,1H3,(H,19,21);1H/t9-,13?;/m0./s1
InChIKeySHIVUFSMESZCJI-LEMICQRHSA-N
MW380.70 g/mol
LogP2.48
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120507098) has the molecular formula C15H20Cl3N3O2 and a molecular weight of 380.70 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120507098
Molecular FormulaC15H20Cl3N3O2
Molecular Weight380.70 g/mol
Exact Mass379.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-9(8-18)19-14(21)13-3-2-6-20(13)15(22)11-7-10(16)4-5-12(11)17;/h4-5,7,9,13H,2-3,6,8,18H2,1H3,(H,19,21);1H/t9-,13?;/m0./s1
InChIKeySHIVUFSMESZCJI-LEMICQRHSA-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

Analyze N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324
(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 35263471
propan-2-yl (2S)-3-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoate
CID 97018653
1-(2,5-dichlorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 55655996
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
N-[(2S)-1-aminopropan-2-yl]-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 120507145
(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 95611412
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275225
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275224
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111
1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119424492
1-(2,5-dichlorobenzoyl)-N-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55721754

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120507098) is N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SHIVUFSMESZCJI-LEMICQRHSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2.ClH/c1-9(8-18)19-14(21)13-3-2-6-20(13)15(22)11-7-10(16)4-5-12(11)17;/h4-5,7,9,13H,2-3,6,8,18H2,1H3,(H,19,21);1H/t9-,13?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;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-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120507098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).