N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide

C22H21N5O — CID 87951181

IUPACN-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)Cc2ccccc2-c2cccc(/C(N)=N/[H])c2)cc1
InChIInChI=1S/C22H21N5O/c23-21(24)14-8-10-18(11-9-14)27-20(28)13-16-4-1-2-7-19(16)15-5-3-6-17(12-15)22(25)26/h1-12H,13H2,(H3,23,24)(H3,25,26)(H,27,28)
InChIKeyAOLWDIAISKDMRR-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.10
Rot. Bonds6

About N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide

N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide (PubChem CID 87951181) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
PubChem CID87951181
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)Cc2ccccc2-c2cccc(/C(N)=N/[H])c2)cc1
InChIInChI=1S/C22H21N5O/c23-21(24)14-8-10-18(11-9-14)27-20(28)13-16-4-1-2-7-19(16)15-5-3-6-17(12-15)22(25)26/h1-12H,13H2,(H3,23,24)(H3,25,26)(H,27,28)
InChIKeyAOLWDIAISKDMRR-UHFFFAOYSA-N
XLogP3.10
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.10
H-Bond Donors ≤ 55
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

N'-(4-carbamimidoylphenyl)-N-[(2-phenylphenyl)methyl]propanediamide
CID 59110671
2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
CID 18800618
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
CID 59110661
N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide
CID 59110621
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate
CID 22626543
5-[2-(3-carbamimidoylphenyl)phenyl]pentanoic acid
CID 54151029
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
methyl 2-[2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phenyl]acetate
CID 22625993
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide
CID 59050345

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide (CID 87951181) is N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)Cc2ccccc2-c2cccc(/C(N)=N/[H])c2)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide?
The InChIKey is AOLWDIAISKDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-21(24)14-8-10-18(11-9-14)27-20(28)13-16-4-1-2-7-19(16)15-5-3-6-17(12-15)22(25)26/h1-12H,13H2,(H3,23,24)(H3,25,26)(H,27,28).
What are the key properties of N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide?
N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide is sourced from PubChem (CID 87951181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).