3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide

C16H18N4O2 — CID 78776448

IUPAC3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C16H18N4O2/c1-20(2)14-8-6-12(7-9-14)18-15(21)11-4-3-5-13(10-11)19-16(17)22/h3-10H,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyZFUIFZOMMAJYNY-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.50
Rot. Bonds4

About 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide

3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide (PubChem CID 78776448) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
PubChem CID78776448
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C16H18N4O2/c1-20(2)14-8-6-12(7-9-14)18-15(21)11-4-3-5-13(10-11)19-16(17)22/h3-10H,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyZFUIFZOMMAJYNY-UHFFFAOYSA-N
XLogP2.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide (CID 78776448) is 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide?
The InChIKey is ZFUIFZOMMAJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)14-8-6-12(7-9-14)18-15(21)11-4-3-5-13(10-11)19-16(17)22/h3-10H,1-2H3,(H,18,21)(H3,17,19,22).
What are the key properties of 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide?
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 78776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).