4-[(3-bromophenyl)methoxy]-3-chlorobenzamide

C14H11BrClNO2 — CID 91683338

IUPAC4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
SMILESNC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H11BrClNO2/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H2,17,18)
InChIKeyZLEYBTPNDDKYNG-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.78
Rot. Bonds4

About 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide

4-[(3-bromophenyl)methoxy]-3-chlorobenzamide (PubChem CID 91683338) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
PubChem CID91683338
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
SMILESNC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H11BrClNO2/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H2,17,18)
InChIKeyZLEYBTPNDDKYNG-UHFFFAOYSA-N
XLogP3.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide
CID 167761096
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
3-bromo-4-[(3-bromophenyl)methoxy]benzenecarbothioamide
CID 82827382
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
3-[(2-bromo-4-methylphenoxy)methyl]benzamide
CID 28602474
3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
CID 115918400
methyl (E)-3-[4-[(3-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoate
CID 91684869
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide (CID 91683338) is 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide is NC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide?
The InChIKey is ZLEYBTPNDDKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H2,17,18).
What are the key properties of 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide?
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide has a molecular weight of 340.60 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-3-chlorobenzamide is sourced from PubChem (CID 91683338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).