2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide

C20H20BrN3O2 — CID 154576769

IUPAC2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(-c3cnn(C)c3)cc2)c1
InChIInChI=1S/C20H20BrN3O2/c1-24-13-16(12-23-24)15-5-3-14(4-6-15)9-10-22-20(25)18-11-17(26-2)7-8-19(18)21/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)
InChIKeyJBBZQOSKPOVPAS-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.83
Rot. Bonds6

About 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide

2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 154576769) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
PubChem CID154576769
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(-c3cnn(C)c3)cc2)c1
InChIInChI=1S/C20H20BrN3O2/c1-24-13-16(12-23-24)15-5-3-14(4-6-15)9-10-22-20(25)18-11-17(26-2)7-8-19(18)21/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)
InChIKeyJBBZQOSKPOVPAS-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196274
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
CID 154576814
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781
2-bromo-5-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546437
1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide (CID 154576769) is 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide is COc1ccc(Br)c(C(=O)NCCc2ccc(-c3cnn(C)c3)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is JBBZQOSKPOVPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-24-13-16(12-23-24)15-5-3-14(4-6-15)9-10-22-20(25)18-11-17(26-2)7-8-19(18)21/h3-8,11-13H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 414.30 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 154576769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).