N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide

C19H16ClN3O2 — CID 139243358

IUPACN-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
SMILESO=C(N/C(=N\Cc1ccco1)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)22-19(21-13-17-7-4-12-25-17)23-18(24)14-5-2-1-3-6-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyAXBNPVGUKMJVPG-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.33
Rot. Bonds4

About N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide

N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide (PubChem CID 139243358) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
PubChem CID139243358
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
SMILESO=C(N/C(=N\Cc1ccco1)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)22-19(21-13-17-7-4-12-25-17)23-18(24)14-5-2-1-3-6-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyAXBNPVGUKMJVPG-UHFFFAOYSA-N
XLogP4.33
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
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-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
CID 139243347
N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
CID 155542579
1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
CID 162321275
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
4-chloro-N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818156
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
N-[N-(4-bromophenyl)-N'-butylcarbamimidoyl]benzamide
CID 139243346
benzamido N-(4-chlorophenyl)carbamate
CID 134110176

Frequently Asked Questions

What is the IUPAC name of N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
The IUPAC name of N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide (CID 139243358) is N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide is O=C(N/C(=N\Cc1ccco1)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
The InChIKey is AXBNPVGUKMJVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)22-19(21-13-17-7-4-12-25-17)23-18(24)14-5-2-1-3-6-14/h1-12H,13H2,(H2,21,22,23,24).
What are the key properties of N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 139243358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).