4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

C25H26BrN2O3+ — CID 4748638

IUPAC4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(COc2ccc(Br)cc2)cc1
InChIInChI=1S/C25H25BrN2O3/c26-22-8-10-24(11-9-22)31-18-19-4-6-21(7-5-19)25(29)27-23-3-1-2-20(16-23)17-28-12-14-30-15-13-28/h1-11,16H,12-15,17-18H2,(H,27,29)/p+1
InChIKeyKPVZAKSYRGQHBY-UHFFFAOYSA-O
MW482.40 g/mol
LogP3.70
Rot. Bonds7

About 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (PubChem CID 4748638) has the molecular formula C25H26BrN2O3+ and a molecular weight of 482.40 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
PubChem CID4748638
Molecular FormulaC25H26BrN2O3+
Molecular Weight482.40 g/mol
Exact Mass481.11
IUPAC Name4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(COc2ccc(Br)cc2)cc1
InChIInChI=1S/C25H25BrN2O3/c26-22-8-10-24(11-9-22)31-18-19-4-6-21(7-5-19)25(29)27-23-3-1-2-20(16-23)17-28-12-14-30-15-13-28/h1-11,16H,12-15,17-18H2,(H,27,29)/p+1
InChIKeyKPVZAKSYRGQHBY-UHFFFAOYSA-O
XLogP3.70
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
CID 7315778
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 7480755
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
4-[(4-bromophenoxy)methyl]-N-(4-hydroxy-3-methylsulfonylphenyl)benzamide
CID 175601981
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (CID 4748638) is 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(COc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The InChIKey is KPVZAKSYRGQHBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H25BrN2O3/c26-22-8-10-24(11-9-22)31-18-19-4-6-21(7-5-19)25(29)27-23-3-1-2-20(16-23)17-28-12-14-30-15-13-28/h1-11,16H,12-15,17-18H2,(H,27,29)/p+1.
What are the key properties of 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide has a molecular weight of 482.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 4748638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).