(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide

C18H22Cl2N2O3 — CID 35263471

IUPAC(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1
InChIInChI=1S/C18H22Cl2N2O3/c1-11(16-5-3-9-25-16)21-17(23)15-4-2-8-22(15)18(24)13-10-12(19)6-7-14(13)20/h6-7,10-11,15-16H,2-5,8-9H2,1H3,(H,21,23)/t11-,15-,16-/m0/s1
InChIKeyWLDHDHAVTVYCDN-UVBJJODRSA-N
MW385.29 g/mol
LogP3.28
Rot. Bonds4

About (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide

(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 35263471) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID35263471
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1
InChIInChI=1S/C18H22Cl2N2O3/c1-11(16-5-3-9-25-16)21-17(23)15-4-2-8-22(15)18(24)13-10-12(19)6-7-14(13)20/h6-7,10-11,15-16H,2-5,8-9H2,1H3,(H,21,23)/t11-,15-,16-/m0/s1
InChIKeyWLDHDHAVTVYCDN-UVBJJODRSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 71887112
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324
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
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]methanone
CID 94103130
N-[1-(oxolan-2-yl)ethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136578840
propan-2-yl (2S)-3-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoate
CID 97018653
tert-butyl (2R)-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35257976
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111
1-(2,5-dichlorobenzoyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55849133
1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55609544

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide (CID 35263471) is (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1.
What is the InChIKey of (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is WLDHDHAVTVYCDN-UVBJJODRSA-N. The full InChI is InChI=1S/C18H22Cl2N2O3/c1-11(16-5-3-9-25-16)21-17(23)15-4-2-8-22(15)18(24)13-10-12(19)6-7-14(13)20/h6-7,10-11,15-16H,2-5,8-9H2,1H3,(H,21,23)/t11-,15-,16-/m0/s1.
What are the key properties of (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 35263471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).