4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide

C24H19BrClN3O2 — CID 19397626

IUPAC4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H19BrClN3O2/c25-21-6-2-4-8-23(21)31-16-17-9-11-18(12-10-17)24(30)28-20-13-27-29(15-20)14-19-5-1-3-7-22(19)26/h1-13,15H,14,16H2,(H,28,30)
InChIKeyLJLGWLARHVZUSJ-UHFFFAOYSA-N
MW496.79 g/mol
LogP6.18
Rot. Bonds7

About 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide

4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19397626) has the molecular formula C24H19BrClN3O2 and a molecular weight of 496.79 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19397626
Molecular FormulaC24H19BrClN3O2
Molecular Weight496.79 g/mol
Exact Mass495.03
IUPAC Name4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H19BrClN3O2/c25-21-6-2-4-8-23(21)31-16-17-9-11-18(12-10-17)24(30)28-20-13-27-29(15-20)14-19-5-1-3-7-22(19)26/h1-13,15H,14,16H2,(H,28,30)
InChIKeyLJLGWLARHVZUSJ-UHFFFAOYSA-N
XLogP6.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395461
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19397750
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19336064
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
5-[(2-bromophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450410
3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346434
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-bromophenoxy)methyl]benzamide
CID 19287458
4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19397696
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399942
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397955

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19397626) is 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is LJLGWLARHVZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClN3O2/c25-21-6-2-4-8-23(21)31-16-17-9-11-18(12-10-17)24(30)28-20-13-27-29(15-20)14-19-5-1-3-7-22(19)26/h1-13,15H,14,16H2,(H,28,30).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide?
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 496.79 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19397626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).