3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide

C23H19BrF2N2O3 — CID 60615050

IUPAC3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H19BrF2N2O3/c1-14-7-8-16(12-19(14)28-22(30)15-5-3-2-4-6-15)21(29)27-13-17-11-18(24)9-10-20(17)31-23(25)26/h2-12,23H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyQJYBBTJNHBMSLA-UHFFFAOYSA-N
MW489.32 g/mol
LogP5.54
Rot. Bonds7

About 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide

3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide (PubChem CID 60615050) has the molecular formula C23H19BrF2N2O3 and a molecular weight of 489.32 g/mol. Its IUPAC name is 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
PubChem CID60615050
Molecular FormulaC23H19BrF2N2O3
Molecular Weight489.32 g/mol
Exact Mass488.05
IUPAC Name3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H19BrF2N2O3/c1-14-7-8-16(12-19(14)28-22(30)15-5-3-2-4-6-15)21(29)27-13-17-11-18(24)9-10-20(17)31-23(25)26/h2-12,23H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyQJYBBTJNHBMSLA-UHFFFAOYSA-N
XLogP5.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.32
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39294946
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
CID 52834353
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
CID 55909018
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856
methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
CID 8920037
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide (CID 60615050) is 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide?
The InChIKey is QJYBBTJNHBMSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrF2N2O3/c1-14-7-8-16(12-19(14)28-22(30)15-5-3-2-4-6-15)21(29)27-13-17-11-18(24)9-10-20(17)31-23(25)26/h2-12,23H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide?
3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide has a molecular weight of 489.32 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 60615050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).