2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide

C18H20BrClN2O2 — CID 78901621

IUPAC2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C18H20BrClN2O2/c1-22(2)9-10-24-15-6-3-13(4-7-15)12-21-18(23)16-11-14(20)5-8-17(16)19/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyNQQAJPXAOFLEHE-UHFFFAOYSA-N
MW411.73 g/mol
LogP3.97
Rot. Bonds7

About 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide

2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide (PubChem CID 78901621) has the molecular formula C18H20BrClN2O2 and a molecular weight of 411.73 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
PubChem CID78901621
Molecular FormulaC18H20BrClN2O2
Molecular Weight411.73 g/mol
Exact Mass410.04
IUPAC Name2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C18H20BrClN2O2/c1-22(2)9-10-24-15-6-3-13(4-7-15)12-21-18(23)16-11-14(20)5-8-17(16)19/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyNQQAJPXAOFLEHE-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxy-5-nitrobenzamide
CID 55857984
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide (CID 78901621) is 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide is CN(C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
The InChIKey is NQQAJPXAOFLEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O2/c1-22(2)9-10-24-15-6-3-13(4-7-15)12-21-18(23)16-11-14(20)5-8-17(16)19/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide?
2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide has a molecular weight of 411.73 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 78901621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).