N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide

C21H19N3O — CID 73051218

IUPACN-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c22-20(23)17-12-10-15(11-13-17)14-24-21(25)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H3,22,23)(H,24,25)
InChIKeyVXNFUCOMWBXEOY-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.57
Rot. Bonds5

About N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide

N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide (PubChem CID 73051218) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
PubChem CID73051218
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c22-20(23)17-12-10-15(11-13-17)14-24-21(25)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H3,22,23)(H,24,25)
InChIKeyVXNFUCOMWBXEOY-UHFFFAOYSA-N
XLogP3.57
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.57
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

2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 73052178
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
N-[(4-carbamimidoylphenyl)methyl]-4-fluoro-2-(4-sulfamoylphenyl)benzamide
CID 73052015
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate
CID 22626543
trans-(1R,2R)-2-N-benzyl-1-N-[(4-carbamimidoylphenyl)methyl]cyclopentane-1,2-dicarboxamide
CID 10667379
N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 156653793

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide?
The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide (CID 73051218) is N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide is [H]/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide?
The InChIKey is VXNFUCOMWBXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c22-20(23)17-12-10-15(11-13-17)14-24-21(25)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2,(H3,22,23)(H,24,25).
What are the key properties of N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide?
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide is sourced from PubChem (CID 73051218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).