N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

C22H18N2O4 — CID 1092870

IUPACN-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C22H18N2O4/c1-14-3-2-4-15(11-14)21(25)23-17-6-8-18(9-7-17)24-22(26)16-5-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyNWYWRCWEPJZFSQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.23
Rot. Bonds4

About N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 1092870) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID1092870
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C22H18N2O4/c1-14-3-2-4-15(11-14)21(25)23-17-6-8-18(9-7-17)24-22(26)16-5-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyNWYWRCWEPJZFSQ-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-[3-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 38496033
N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[(2-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982029
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 1092870) is N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1.
What is the InChIKey of N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NWYWRCWEPJZFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14-3-2-4-15(11-14)21(25)23-17-6-8-18(9-7-17)24-22(26)16-5-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1092870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).