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

C16H26ClN3O — CID 106609933

IUPAC4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(CC1CCCN1)C(C)C
InChIInChI=1S/C16H26ClN3O/c1-4-8-19-10-13(17)9-15(19)16(21)20(12(2)3)11-14-6-5-7-18-14/h9-10,12,14,18H,4-8,11H2,1-3H3
InChIKeyYANXMVJWZSGVNW-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.15
Rot. Bonds6

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

4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106609933) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID106609933
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(CC1CCCN1)C(C)C
InChIInChI=1S/C16H26ClN3O/c1-4-8-19-10-13(17)9-15(19)16(21)20(12(2)3)11-14-6-5-7-18-14/h9-10,12,14,18H,4-8,11H2,1-3H3
InChIKeyYANXMVJWZSGVNW-UHFFFAOYSA-N
XLogP3.15
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609823
4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041
4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106612792
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
3-ethyl-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106609915
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
N-methyl-4-nitro-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106607667
4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106626232
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
CID 106626597
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (CID 106609933) is 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)N(CC1CCCN1)C(C)C.
What is the InChIKey of 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is YANXMVJWZSGVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-8-19-10-13(17)9-15(19)16(21)20(12(2)3)11-14-6-5-7-18-14/h9-10,12,14,18H,4-8,11H2,1-3H3.
What are the key properties of 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106609933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).