3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide

C14H18BrClN2O — CID 103841452

IUPAC3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O/c15-12-10-11(4-5-13(12)16)14(19)17-6-3-9-18-7-1-2-8-18/h4-5,10H,1-3,6-9H2,(H,17,19)
InChIKeyYSGFGKOLRXLGRF-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.32
Rot. Bonds5

About 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide

3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 103841452) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID103841452
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O/c15-12-10-11(4-5-13(12)16)14(19)17-6-3-9-18-7-1-2-8-18/h4-5,10H,1-3,6-9H2,(H,17,19)
InChIKeyYSGFGKOLRXLGRF-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 103841452) is 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is YSGFGKOLRXLGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c15-12-10-11(4-5-13(12)16)14(19)17-6-3-9-18-7-1-2-8-18/h4-5,10H,1-3,6-9H2,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 103841452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).