N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide

C26H24N4O4 — CID 16614506

IUPACN-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C26H24N4O4/c1-33-23-15-22(29-26(32)19-9-5-3-6-10-19)24(34-2)14-21(23)28-25(31)13-18-16-27-30(17-18)20-11-7-4-8-12-20/h3-12,14-17H,13H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyWYPFFQIFHDIOHD-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.32
Rot. Bonds8

About N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide (PubChem CID 16614506) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
PubChem CID16614506
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C26H24N4O4/c1-33-23-15-22(29-26(32)19-9-5-3-6-10-19)24(34-2)14-21(23)28-25(31)13-18-16-27-30(17-18)20-11-7-4-8-12-20/h3-12,14-17H,13H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyWYPFFQIFHDIOHD-UHFFFAOYSA-N
XLogP4.32
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621818
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55727529
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-(4,5-diethoxy-2-nitrophenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 78839667
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614530
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide (CID 16614506) is N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is WYPFFQIFHDIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-33-23-15-22(29-26(32)19-9-5-3-6-10-19)24(34-2)14-21(23)28-25(31)13-18-16-27-30(17-18)20-11-7-4-8-12-20/h3-12,14-17H,13H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 456.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 16614506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).