2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C20H23BrN2O3 — CID 17473474

IUPAC2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C20H23BrN2O3/c1-25-17-6-7-19(21)18(12-17)20(24)22-13-15-2-4-16(5-3-15)14-23-8-10-26-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyJHNNLWUVDBJHQI-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.22
Rot. Bonds6

About 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 17473474) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID17473474
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C20H23BrN2O3/c1-25-17-6-7-19(21)18(12-17)20(24)22-13-15-2-4-16(5-3-15)14-23-8-10-26-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyJHNNLWUVDBJHQI-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 17473474) is 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is COc1ccc(Br)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is JHNNLWUVDBJHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-25-17-6-7-19(21)18(12-17)20(24)22-13-15-2-4-16(5-3-15)14-23-8-10-26-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 419.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17473474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).