3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide

C18H19BrN2O2 — CID 119449633

IUPAC3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-17-7-2-1-4-14(17)12-23-16-6-3-5-13(10-16)18(22)21-15-8-9-20-11-15/h1-7,10,15,20H,8-9,11-12H2,(H,21,22)
InChIKeyLVPWFRLYQSZJFD-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.12
Rot. Bonds5

About 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide

3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide (PubChem CID 119449633) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
PubChem CID119449633
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-17-7-2-1-4-14(17)12-23-16-6-3-5-13(10-16)18(22)21-15-8-9-20-11-15/h1-7,10,15,20H,8-9,11-12H2,(H,21,22)
InChIKeyLVPWFRLYQSZJFD-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451945
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
CID 119429629
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
CID 55864621
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide (CID 119449633) is 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is LVPWFRLYQSZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-17-7-2-1-4-14(17)12-23-16-6-3-5-13(10-16)18(22)21-15-8-9-20-11-15/h1-7,10,15,20H,8-9,11-12H2,(H,21,22).
What are the key properties of 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide?
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 375.27 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119449633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).