4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H20BrClN2O — CID 106610449

IUPAC4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H20BrClN2O/c1-2-8-19(10-12-4-3-7-18-12)15(20)11-5-6-13(16)14(17)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyROPOWCNMTJZUND-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.71
Rot. Bonds5

About 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide

4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106610449) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106610449
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H20BrClN2O/c1-2-8-19(10-12-4-3-7-18-12)15(20)11-5-6-13(16)14(17)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyROPOWCNMTJZUND-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611749
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106610449) is 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCN(CC1CCCN1)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is ROPOWCNMTJZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-2-8-19(10-12-4-3-7-18-12)15(20)11-5-6-13(16)14(17)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 359.70 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106610449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).