4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide

C17H18BrNO2 — CID 146673288

IUPAC4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Br)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12(2)19-17(20)14-8-9-15(18)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyROMOPOHOXSFIBI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.17
Rot. Bonds5

About 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide

4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide (PubChem CID 146673288) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
PubChem CID146673288
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Br)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12(2)19-17(20)14-8-9-15(18)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyROMOPOHOXSFIBI-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
CID 166001387
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
CID 891835
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4766623
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide (CID 146673288) is 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Br)c(OCc2ccccc2)c1.
What is the InChIKey of 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide?
The InChIKey is ROMOPOHOXSFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(2)19-17(20)14-8-9-15(18)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide?
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 146673288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).