2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide

C18H16BrN3O — CID 139416919

IUPAC2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
SMILESCn1cc(-c2ccc(NC(=O)C(Br)c3ccccc3)cc2)cn1
InChIInChI=1S/C18H16BrN3O/c1-22-12-15(11-20-22)13-7-9-16(10-8-13)21-18(23)17(19)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,21,23)
InChIKeyQFZDFCUZHGDRAK-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.16
Rot. Bonds4

About 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide

2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide (PubChem CID 139416919) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
PubChem CID139416919
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
SMILESCn1cc(-c2ccc(NC(=O)C(Br)c3ccccc3)cc2)cn1
InChIInChI=1S/C18H16BrN3O/c1-22-12-15(11-20-22)13-7-9-16(10-8-13)21-18(23)17(19)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,21,23)
InChIKeyQFZDFCUZHGDRAK-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175630363
2-[[(2S)-2-(4-chlorophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175631857
(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 158662618
3-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 139426138
3-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 139426223
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
CID 72547993
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
[4-(1-methylpyrazol-4-yl)phenyl]thiourea
CID 169356710
(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate
CID 86909566
2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
CID 43244711

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide (CID 139416919) is 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide is Cn1cc(-c2ccc(NC(=O)C(Br)c3ccccc3)cc2)cn1.
What is the InChIKey of 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is QFZDFCUZHGDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-22-12-15(11-20-22)13-7-9-16(10-8-13)21-18(23)17(19)14-5-3-2-4-6-14/h2-12,17H,1H3,(H,21,23).
What are the key properties of 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 370.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 139416919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).