2-(4-carbamimidoylphenyl)benzamide

C14H13N3O — CID 90947918

IUPAC2-(4-carbamimidoylphenyl)benzamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C14H13N3O/c15-13(16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(17)18/h1-8H,(H3,15,16)(H2,17,18)
InChIKeyFUXHQTKUBDDLDL-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-carbamimidoylphenyl)benzamide

2-(4-carbamimidoylphenyl)benzamide (PubChem CID 90947918) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(4-carbamimidoylphenyl)benzamide.

Molecular Properties

Compound Name2-(4-carbamimidoylphenyl)benzamide
PubChem CID90947918
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(4-carbamimidoylphenyl)benzamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C14H13N3O/c15-13(16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(17)18/h1-8H,(H3,15,16)(H2,17,18)
InChIKeyFUXHQTKUBDDLDL-UHFFFAOYSA-N
XLogP1.74
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.74
H-Bond Donors ≤ 53
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

N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
2-(4-bromophenyl)benzamide
CID 15982087
2-(4-sulfanylphenyl)benzamide
CID 123865204
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
benzoic acid;2-phenylbenzamide
CID 70205361
ethane;4-phenylbenzenecarboximidamide
CID 91221015
propan-2-yl 4-(2-carbamoylphenyl)benzoate
CID 70179260
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
2-(4-anilinophenyl)benzamide
CID 174939572
N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 73052178
benzenecarboximidamide;sulfane
CID 172701796

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamimidoylphenyl)benzamide?
The IUPAC name of 2-(4-carbamimidoylphenyl)benzamide (CID 90947918) is 2-(4-carbamimidoylphenyl)benzamide.
What is the SMILES notation for 2-(4-carbamimidoylphenyl)benzamide?
The canonical SMILES for 2-(4-carbamimidoylphenyl)benzamide is [H]/N=C(\N)c1ccc(-c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-(4-carbamimidoylphenyl)benzamide?
The InChIKey is FUXHQTKUBDDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-13(16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(17)18/h1-8H,(H3,15,16)(H2,17,18).
What are the key properties of 2-(4-carbamimidoylphenyl)benzamide?
2-(4-carbamimidoylphenyl)benzamide has a molecular weight of 239.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoylphenyl)benzamide is sourced from PubChem (CID 90947918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).