4-(N,N-dimethylcarbamimidoyl)benzamide

C10H13N3O — CID 69104062

IUPAC4-(N,N-dimethylcarbamimidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(N)=O)cc1)N(C)C
InChIInChI=1S/C10H13N3O/c1-13(2)9(11)7-3-5-8(6-4-7)10(12)14/h3-6,11H,1-2H3,(H2,12,14)/b11-9-
InChIKeyBXDWIGQNAOFQGW-LUAWRHEFSA-N
MW191.23 g/mol
LogP0.67
Rot. Bonds2

About 4-(N,N-dimethylcarbamimidoyl)benzamide

4-(N,N-dimethylcarbamimidoyl)benzamide (PubChem CID 69104062) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(N,N-dimethylcarbamimidoyl)benzamide.

Molecular Properties

Compound Name4-(N,N-dimethylcarbamimidoyl)benzamide
PubChem CID69104062
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(N,N-dimethylcarbamimidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(N)=O)cc1)N(C)C
InChIInChI=1S/C10H13N3O/c1-13(2)9(11)7-3-5-8(6-4-7)10(12)14/h3-6,11H,1-2H3,(H2,12,14)/b11-9-
InChIKeyBXDWIGQNAOFQGW-LUAWRHEFSA-N
XLogP0.67
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,N,N-Trimethylbenzamide
CID 84179
N1,N4-Dimethyl-1,4-benzenedicarboxamide
CID 96246
N-Methyl-p-toluamide
CID 140377
4-Amidinobenzamide Hydrochloride
CID 2724293
4-[(E)-[(3Z)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]methylidene]-2-oxocycloheptylidene]methyl]benzenecarboximidamide
CID 10501172
4-[(Z)-[(3Z)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]methylidene]-2-oxocycloheptylidene]methyl]benzenecarboximidamide
CID 10644693
4-[(E)-[(3E)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]methylidene]-2-oxocycloheptylidene]methyl]benzenecarboximidamide
CID 10787181
4-Amidinobenzamide
CID 596019
N-[1-Dimethylaminomethylidene]benzamide
CID 4309686
2,7-di[1-[4-dimethylamino(imino)methylphenyl]-(Z)-methylidene]-1-cycloheptanone
CID 11796805
4-carbamimidoyl-N-[5-[(4-carbamimidoylbenzoyl)amino]pentyl]benzamide
CID 10178759
3-Carbamimidoylbenzamide
CID 18327622

Frequently Asked Questions

What is the IUPAC name of 4-(N,N-dimethylcarbamimidoyl)benzamide?
The IUPAC name of 4-(N,N-dimethylcarbamimidoyl)benzamide (CID 69104062) is 4-(N,N-dimethylcarbamimidoyl)benzamide.
What is the SMILES notation for 4-(N,N-dimethylcarbamimidoyl)benzamide?
The canonical SMILES for 4-(N,N-dimethylcarbamimidoyl)benzamide is [H]/N=C(/c1ccc(C(N)=O)cc1)N(C)C.
What is the InChIKey of 4-(N,N-dimethylcarbamimidoyl)benzamide?
The InChIKey is BXDWIGQNAOFQGW-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)9(11)7-3-5-8(6-4-7)10(12)14/h3-6,11H,1-2H3,(H2,12,14)/b11-9-.
What are the key properties of 4-(N,N-dimethylcarbamimidoyl)benzamide?
4-(N,N-dimethylcarbamimidoyl)benzamide has a molecular weight of 191.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,N-dimethylcarbamimidoyl)benzamide is sourced from PubChem (CID 69104062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).