N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide

C23H17N3O4 — CID 1010974

IUPACN-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C23H17N3O4/c1-14-5-4-6-16(13-14)20(27)24-17-11-9-15(10-12-17)21(28)25-26-22(29)18-7-2-3-8-19(18)23(26)30/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyDUZXCDNAWPMDOL-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.19
Rot. Bonds4

About N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide

N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 1010974) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
PubChem CID1010974
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC NameN-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C23H17N3O4/c1-14-5-4-6-16(13-14)20(27)24-17-11-9-15(10-12-17)21(28)25-26-22(29)18-7-2-3-8-19(18)23(26)30/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyDUZXCDNAWPMDOL-UHFFFAOYSA-N
XLogP3.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-methylbenzamide
CID 22779288
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
CID 87724838
CID 87724838
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
CID 19318759
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
CID 909687
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide (CID 1010974) is N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2)c1.
What is the InChIKey of N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is DUZXCDNAWPMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-14-5-4-6-16(13-14)20(27)24-17-11-9-15(10-12-17)21(28)25-26-22(29)18-7-2-3-8-19(18)23(26)30/h2-13H,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide?
N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 399.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 1010974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).