4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C24H22BrNO2 — CID 4091350

IUPAC4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H22BrNO2/c25-21-9-3-4-11-23(21)28-16-17-12-14-19(15-13-17)24(27)26-22-10-5-7-18-6-1-2-8-20(18)22/h1-4,6,8-9,11-15,22H,5,7,10,16H2,(H,26,27)
InChIKeyPJUCNHNJDLALKG-UHFFFAOYSA-N
MW436.35 g/mol
LogP5.84
Rot. Bonds5

About 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 4091350) has the molecular formula C24H22BrNO2 and a molecular weight of 436.35 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID4091350
Molecular FormulaC24H22BrNO2
Molecular Weight436.35 g/mol
Exact Mass435.08
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H22BrNO2/c25-21-9-3-4-11-23(21)28-16-17-12-14-19(15-13-17)24(27)26-22-10-5-7-18-6-1-2-8-20(18)22/h1-4,6,8-9,11-15,22H,5,7,10,16H2,(H,26,27)
InChIKeyPJUCNHNJDLALKG-UHFFFAOYSA-N
XLogP5.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.35
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromophenoxy)methyl]-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 112839310
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95146458
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 95320971
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46642561
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745572
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92681011

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 4091350) is 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is PJUCNHNJDLALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrNO2/c25-21-9-3-4-11-23(21)28-16-17-12-14-19(15-13-17)24(27)26-22-10-5-7-18-6-1-2-8-20(18)22/h1-4,6,8-9,11-15,22H,5,7,10,16H2,(H,26,27).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 436.35 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 4091350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).