N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide

C19H18N4O3 — CID 171133571

IUPACN-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Cn2cc(Oc3ccccc3)cn2)cc1
InChIInChI=1S/C19H18N4O3/c1-20-19(25)14-7-9-15(10-8-14)22-18(24)13-23-12-17(11-21-23)26-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,25)(H,22,24)
InChIKeyMGXLSBHUZNIWBU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.67
Rot. Bonds6

About N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide

N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide (PubChem CID 171133571) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide
PubChem CID171133571
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Cn2cc(Oc3ccccc3)cn2)cc1
InChIInChI=1S/C19H18N4O3/c1-20-19(25)14-7-9-15(10-8-14)22-18(24)13-23-12-17(11-21-23)26-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,25)(H,22,24)
InChIKeyMGXLSBHUZNIWBU-UHFFFAOYSA-N
XLogP2.67
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 9003305
1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
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4-[4-(4-fluorophenoxy)pyrazol-1-yl]-N-phenylbutanamide
CID 171133499
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
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N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370
N-(3-phenoxyphenyl)-2-pyrazol-1-ylacetamide
CID 51272460
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide (CID 171133571) is N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)Cn2cc(Oc3ccccc3)cn2)cc1.
What is the InChIKey of N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide?
The InChIKey is MGXLSBHUZNIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-20-19(25)14-7-9-15(10-8-14)22-18(24)13-23-12-17(11-21-23)26-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,25)(H,22,24).
What are the key properties of N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide?
N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 171133571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).