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

C21H18ClN3O — CID 139243347

IUPACN-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
SMILESO=C(N/C(=N\Cc1ccccc1)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H18ClN3O/c22-18-11-13-19(14-12-18)24-21(23-15-16-7-3-1-4-8-16)25-20(26)17-9-5-2-6-10-17/h1-14H,15H2,(H2,23,24,25,26)
InChIKeyDPGYWCDRRBNSDX-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.74
Rot. Bonds4

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

N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide (PubChem CID 139243347) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
PubChem CID139243347
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC NameN-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
SMILESO=C(N/C(=N\Cc1ccccc1)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H18ClN3O/c22-18-11-13-19(14-12-18)24-21(23-15-16-7-3-1-4-8-16)25-20(26)17-9-5-2-6-10-17/h1-14H,15H2,(H2,23,24,25,26)
InChIKeyDPGYWCDRRBNSDX-UHFFFAOYSA-N
XLogP4.74
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.74
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-methylphenyl)carbamimidoyl]benzamide
CID 155542579
N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
CID 139243358
4-chloro-N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818156
N-[N-(3-bromophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-chlorobenzamide
CID 50771102
3-chloro-N-[N-(4-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771274
3,4-difluoro-N-[N-phenyl-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771443
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771087
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
3-fluoro-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818460
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
N-[N-(4-bromophenyl)-N'-butylcarbamimidoyl]benzamide
CID 139243346

Frequently Asked Questions

What is the IUPAC name of N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide (CID 139243347) is N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide is O=C(N/C(=N\Cc1ccccc1)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide?
The InChIKey is DPGYWCDRRBNSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-18-11-13-19(14-12-18)24-21(23-15-16-7-3-1-4-8-16)25-20(26)17-9-5-2-6-10-17/h1-14H,15H2,(H2,23,24,25,26).
What are the key properties of N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide?
N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide has a molecular weight of 363.85 g/mol, XLogP of 4.74, 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-chlorophenyl)carbamimidoyl]benzamide is sourced from PubChem (CID 139243347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).