4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide

C15H24ClN3O2 — CID 106612792

IUPAC4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C15H24ClN3O2/c1-2-6-18-10-12(16)9-14(18)15(21)19(7-8-20)11-13-4-3-5-17-13/h9-10,13,17,20H,2-8,11H2,1H3
InChIKeyXNRPANVTGKHNEV-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.74
Rot. Bonds7

About 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide

4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106612792) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID106612792
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C15H24ClN3O2/c1-2-6-18-10-12(16)9-14(18)15(21)19(7-8-20)11-13-4-3-5-17-13/h9-10,13,17,20H,2-8,11H2,1H3
InChIKeyXNRPANVTGKHNEV-UHFFFAOYSA-N
XLogP1.74
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609933
4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106612791
4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106626232
4-chloro-1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609823
2-ethyl-N-(2-hydroxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106612708
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041
N-methyl-4-nitro-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106607667
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (CID 106612792) is 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)N(CCO)CC1CCCN1.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XNRPANVTGKHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-2-6-18-10-12(16)9-14(18)15(21)19(7-8-20)11-13-4-3-5-17-13/h9-10,13,17,20H,2-8,11H2,1H3.
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106612792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).