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

C16H23ClN2O — CID 106612004

IUPACN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-2-3-10-19(12-15-8-5-9-18-15)16(20)13-6-4-7-14(17)11-13/h4,6-7,11,15,18H,2-3,5,8-10,12H2,1H3
InChIKeyVWPIQOCIJGROQB-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.33
Rot. Bonds6

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

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612004) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612004
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-2-3-10-19(12-15-8-5-9-18-15)16(20)13-6-4-7-14(17)11-13/h4,6-7,11,15,18H,2-3,5,8-10,12H2,1H3
InChIKeyVWPIQOCIJGROQB-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
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-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612004) is N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is VWPIQOCIJGROQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-3-10-19(12-15-8-5-9-18-15)16(20)13-6-4-7-14(17)11-13/h4,6-7,11,15,18H,2-3,5,8-10,12H2,1H3.
What are the key properties of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.33, 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-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).