2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

C18H20BrNO2 — CID 167809651

IUPAC2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
SMILESCc1cccc(Br)c1C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C18H20BrNO2/c1-12(2)22-11-14-7-5-8-15(10-14)20-18(21)17-13(3)6-4-9-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyIDLDIQSRGXJARH-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.93
Rot. Bonds5

About 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide (PubChem CID 167809651) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
PubChem CID167809651
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
SMILESCc1cccc(Br)c1C(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C18H20BrNO2/c1-12(2)22-11-14-7-5-8-15(10-14)20-18(21)17-13(3)6-4-9-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyIDLDIQSRGXJARH-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 86938203
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 86846212

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide (CID 167809651) is 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide is Cc1cccc(Br)c1C(=O)Nc1cccc(COC(C)C)c1.
What is the InChIKey of 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
The InChIKey is IDLDIQSRGXJARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-12(2)22-11-14-7-5-8-15(10-14)20-18(21)17-13(3)6-4-9-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide?
2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide is sourced from PubChem (CID 167809651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).