3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide

C16H17BrN2O2 — CID 111778065

IUPAC3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c17-15-7-2-1-4-13(15)11-19-14-6-3-5-12(10-14)16(21)18-8-9-20/h1-7,10,19-20H,8-9,11H2,(H,18,21)
InChIKeyNTBZPMUDFXBQGC-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.78
Rot. Bonds6

About 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide

3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 111778065) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID111778065
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c17-15-7-2-1-4-13(15)11-19-14-6-3-5-12(10-14)16(21)18-8-9-20/h1-7,10,19-20H,8-9,11H2,(H,18,21)
InChIKeyNTBZPMUDFXBQGC-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778066
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742098
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-[(4,5-dibromothiophen-2-yl)methylamino]-N-propylbenzamide
CID 102831885
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
CID 115161199
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 111778065) is 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(NCc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is NTBZPMUDFXBQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-15-7-2-1-4-13(15)11-19-14-6-3-5-12(10-14)16(21)18-8-9-20/h1-7,10,19-20H,8-9,11H2,(H,18,21).
What are the key properties of 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 111778065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).