4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide

C23H21N3O2 — CID 174325518

IUPAC4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c24-22(25)18-11-13-19(14-12-18)23(28)26-20(15-16-7-3-1-4-8-16)21(27)17-9-5-2-6-10-17/h1-14,20H,15H2,(H3,24,25)(H,26,28)
InChIKeyQVQBMKRKGUDXOX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.19
Rot. Bonds7

About 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide

4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide (PubChem CID 174325518) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
PubChem CID174325518
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c24-22(25)18-11-13-19(14-12-18)23(28)26-20(15-16-7-3-1-4-8-16)21(27)17-9-5-2-6-10-17/h1-14,20H,15H2,(H3,24,25)(H,26,28)
InChIKeyQVQBMKRKGUDXOX-UHFFFAOYSA-N
XLogP3.19
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-carbamimidoyl-N-[2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 66675175
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
CID 25216176
3-carbamimidoyl-N-[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 101104400
(2R)-2-[(4-carbamimidoylbenzoyl)amino]-3-[4-(carboxymethoxy)phenyl]propanoic acid;hydrate
CID 70050016
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
ethenyl (2S)-2-benzamido-3-phenylpropanoate
CID 90679313
methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate
CID 20708080
N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(3-hydroxyphenyl)benzamide
CID 20708240
4-(3-aminophenyl)-N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]benzamide
CID 20707956
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide?
The IUPAC name of 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide (CID 174325518) is 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide?
The canonical SMILES for 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide is [H]/N=C(\N)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide?
The InChIKey is QVQBMKRKGUDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c24-22(25)18-11-13-19(14-12-18)23(28)26-20(15-16-7-3-1-4-8-16)21(27)17-9-5-2-6-10-17/h1-14,20H,15H2,(H3,24,25)(H,26,28).
What are the key properties of 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide?
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide is sourced from PubChem (CID 174325518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).