N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide

C23H23N3O3 — CID 86942317

IUPACN-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C23H23N3O3/c1-16(2)15-25-23(28)20-8-3-4-9-21(20)26-22(27)17-6-5-7-19(14-17)29-18-10-12-24-13-11-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCKLCRVOZBCWFLE-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.51
Rot. Bonds7

About N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide

N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide (PubChem CID 86942317) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide
PubChem CID86942317
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C23H23N3O3/c1-16(2)15-25-23(28)20-8-3-4-9-21(20)26-22(27)17-6-5-7-19(14-17)29-18-10-12-24-13-11-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCKLCRVOZBCWFLE-UHFFFAOYSA-N
XLogP4.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633764
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
CID 167964840
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide (CID 86942317) is N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide?
The InChIKey is CKLCRVOZBCWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(2)15-25-23(28)20-8-3-4-9-21(20)26-22(27)17-6-5-7-19(14-17)29-18-10-12-24-13-11-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide?
N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide is sourced from PubChem (CID 86942317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).