N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C17H25ClN2O — CID 106612127

IUPACN-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-3-4-8-20(12-16-6-5-7-19-16)17(21)14-9-13(2)10-15(18)11-14/h9-11,16,19H,3-8,12H2,1-2H3
InChIKeyZWAQSALJBMBNNR-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds6

About N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612127) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612127
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-3-4-8-20(12-16-6-5-7-19-16)17(21)14-9-13(2)10-15(18)11-14/h9-11,16,19H,3-8,12H2,1-2H3
InChIKeyZWAQSALJBMBNNR-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612127) is N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is ZWAQSALJBMBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-4-8-20(12-16-6-5-7-19-16)17(21)14-9-13(2)10-15(18)11-14/h9-11,16,19H,3-8,12H2,1-2H3.
What are the key properties of N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).