3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide

C23H21N3O3 — CID 3426380

IUPAC3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H21N3O3/c1-15-5-3-7-18(13-15)21(27)24-20-11-9-17(10-12-20)22(28)25-26-23(29)19-8-4-6-16(2)14-19/h3-14H,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyUTGVFFLFJKOWDY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.63
Rot. Bonds4

About 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide

3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 3426380) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID3426380
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H21N3O3/c1-15-5-3-7-18(13-15)21(27)24-20-11-9-17(10-12-20)22(28)25-26-23(29)19-8-4-6-16(2)14-19/h3-14H,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyUTGVFFLFJKOWDY-UHFFFAOYSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
CID 909687
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
CID 87724838
CID 87724838
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide (CID 3426380) is 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide is Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is UTGVFFLFJKOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-5-3-7-18(13-15)21(27)24-20-11-9-17(10-12-20)22(28)25-26-23(29)19-8-4-6-16(2)14-19/h3-14H,1-2H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3426380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).