N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

C17H21Cl2N3O2 — CID 119612884

IUPACN-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESNCC(NC(=O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C17H21Cl2N3O2/c18-12-6-11(7-13(19)8-12)17(24)22-5-1-2-15(22)16(23)21-14(9-20)10-3-4-10/h6-8,10,14-15H,1-5,9,20H2,(H,21,23)
InChIKeyDDEOUEIKFNQCKW-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.45
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 119612884) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID119612884
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESNCC(NC(=O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C17H21Cl2N3O2/c18-12-6-11(7-13(19)8-12)17(24)22-5-1-2-15(22)16(23)21-14(9-20)10-3-4-10/h6-8,10,14-15H,1-5,9,20H2,(H,21,23)
InChIKeyDDEOUEIKFNQCKW-UHFFFAOYSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 119613771
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
(2R)-1-(3,5-dichlorobenzoyl)-N-[(2R)-4-[(S)-methylsulfinyl]butan-2-yl]pyrrolidine-2-carboxamide
CID 98773325
1-(3,5-dichlorobenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 55723327
(2S)-1-(3,5-dichlorobenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95288558
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95278526
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119589432
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119455251

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (CID 119612884) is N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is NCC(NC(=O)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is DDEOUEIKFNQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-12-6-11(7-13(19)8-12)17(24)22-5-1-2-15(22)16(23)21-14(9-20)10-3-4-10/h6-8,10,14-15H,1-5,9,20H2,(H,21,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119612884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).