N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide

C20H18BrCl2N3O2 — CID 19297491

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
SMILESO=C(NCCCn1cc(Br)cn1)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H18BrCl2N3O2/c21-16-11-25-26(12-16)8-2-7-24-20(27)15-4-1-3-14(9-15)13-28-19-6-5-17(22)10-18(19)23/h1,3-6,9-12H,2,7-8,13H2,(H,24,27)
InChIKeyUHPRJWRYWKDRQN-UHFFFAOYSA-N
MW483.19 g/mol
LogP5.35
Rot. Bonds8

About N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide

N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide (PubChem CID 19297491) has the molecular formula C20H18BrCl2N3O2 and a molecular weight of 483.19 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
PubChem CID19297491
Molecular FormulaC20H18BrCl2N3O2
Molecular Weight483.19 g/mol
Exact Mass481.00
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
SMILESO=C(NCCCn1cc(Br)cn1)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H18BrCl2N3O2/c21-16-11-25-26(12-16)8-2-7-24-20(27)15-4-1-3-14(9-15)13-28-19-6-5-17(22)10-18(19)23/h1,3-6,9-12H,2,7-8,13H2,(H,24,27)
InChIKeyUHPRJWRYWKDRQN-UHFFFAOYSA-N
XLogP5.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.19
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19282912
N-[3-(4-chloropyrazol-1-yl)propyl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19330280
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046
3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
CID 19283361
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19282948
N-[2-(4-bromopyrazol-1-yl)ethyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19282919
3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
CID 25195088
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
3-[(2-bromophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323719
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340300
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19297661

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide (CID 19297491) is N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide is O=C(NCCCn1cc(Br)cn1)c1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide?
The InChIKey is UHPRJWRYWKDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrCl2N3O2/c21-16-11-25-26(12-16)8-2-7-24-20(27)15-4-1-3-14(9-15)13-28-19-6-5-17(22)10-18(19)23/h1,3-6,9-12H,2,7-8,13H2,(H,24,27).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide has a molecular weight of 483.19 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19297491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).