N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22Cl2N2O — CID 106611844

IUPACN-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-2-3-9-20(11-13-5-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyHVHPJIBLCBKEFY-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.99
Rot. Bonds6

About N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611844) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611844
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-2-3-9-20(11-13-5-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyHVHPJIBLCBKEFY-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
4-chloro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611503
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611844) is N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is HVHPJIBLCBKEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-3-9-20(11-13-5-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3.
What are the key properties of N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 329.27 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).