N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide

C21H22Cl2N2O3 — CID 78860043

IUPACN-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1C(=O)c1cc(Cl)ccc1Cl)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H22Cl2N2O3/c22-16-8-9-18(23)17(13-16)20(27)25-10-4-7-19(25)21(28)24(11-12-26)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,26H,4,7,10-12,14H2
InChIKeyPOOKADBBJBOAEP-UHFFFAOYSA-N
MW421.32 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide

N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide (PubChem CID 78860043) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
PubChem CID78860043
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC NameN-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1C(=O)c1cc(Cl)ccc1Cl)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H22Cl2N2O3/c22-16-8-9-18(23)17(13-16)20(27)25-10-4-7-19(25)21(28)24(11-12-26)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,26H,4,7,10-12,14H2
InChIKeyPOOKADBBJBOAEP-UHFFFAOYSA-N
XLogP3.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78855278
tert-butyl 2-[benzyl(2-hydroxyethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 78854083
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 51937265
(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 95611412
N-ethyl-N-(2-hydroxyethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 110906282
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 55780335

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide (CID 78860043) is N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide is O=C(C1CCCN1C(=O)c1cc(Cl)ccc1Cl)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is POOKADBBJBOAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c22-16-8-9-18(23)17(13-16)20(27)25-10-4-7-19(25)21(28)24(11-12-26)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19,26H,4,7,10-12,14H2.
What are the key properties of N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide?
N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 421.32 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78860043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).