N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide

C14H22ClN3O — CID 106612141

IUPACN-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H22ClN3O/c1-2-3-7-18(10-12-5-4-6-16-12)14(19)13-8-11(15)9-17-13/h8-9,12,16-17H,2-7,10H2,1H3
InChIKeyLBDWREBGCCMDAE-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.66
Rot. Bonds6

About N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide

N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 106612141) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID106612141
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H22ClN3O/c1-2-3-7-18(10-12-5-4-6-16-12)14(19)13-8-11(15)9-17-13/h8-9,12,16-17H,2-7,10H2,1H3
InChIKeyLBDWREBGCCMDAE-UHFFFAOYSA-N
XLogP2.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 106612141) is N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCCCN(CC1CCCN1)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LBDWREBGCCMDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-3-7-18(10-12-5-4-6-16-12)14(19)13-8-11(15)9-17-13/h8-9,12,16-17H,2-7,10H2,1H3.
What are the key properties of N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106612141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).