N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide

C22H21N3O — CID 155542579

IUPACN-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
SMILESCc1ccc(N/C(=N/Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O/c1-17-12-14-20(15-13-17)24-22(23-16-18-8-4-2-5-9-18)25-21(26)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,23,24,25,26)
InChIKeyWFFNPNMRXGDZCE-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.39
Rot. Bonds4

About N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide

N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide (PubChem CID 155542579) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
PubChem CID155542579
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
SMILESCc1ccc(N/C(=N/Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O/c1-17-12-14-20(15-13-17)24-22(23-16-18-8-4-2-5-9-18)25-21(26)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,23,24,25,26)
InChIKeyWFFNPNMRXGDZCE-UHFFFAOYSA-N
XLogP4.39
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.39
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

N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
CID 139243347
3-chloro-N-[N-(4-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771274
ethyl 4-[[N-(4-methylbenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]benzoate
CID 50818196
3-methyl-N-[N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50817971
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
N-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771087
N-[N-(4-bromophenyl)-N'-butylcarbamimidoyl]benzamide
CID 139243346
3,4,5-triethoxy-N-[N-phenyl-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771309
3-acetamido-N-[N-(3-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773150
4-acetamido-N-[N-(4-bromophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771222
N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
CID 139243358
3-methoxy-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818521

Frequently Asked Questions

What is the IUPAC name of N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide (CID 155542579) is N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide is Cc1ccc(N/C(=N/Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide?
The InChIKey is WFFNPNMRXGDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-17-12-14-20(15-13-17)24-22(23-16-18-8-4-2-5-9-18)25-21(26)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,23,24,25,26).
What are the key properties of N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide?
N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide is sourced from PubChem (CID 155542579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).