N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide

C22H22ClN3 — CID 18976253

IUPACN'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccc(CCNCc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H22ClN3/c23-20-8-4-5-18(15-20)16-25-14-13-17-9-11-21(12-10-17)26-22(24)19-6-2-1-3-7-19/h1-12,15,25H,13-14,16H2,(H2,24,26)
InChIKeyNSRMWBLHZFWUTA-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.71
Rot. Bonds7

About N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide

N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide (PubChem CID 18976253) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide
PubChem CID18976253
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC NameN'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccc(CCNCc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H22ClN3/c23-20-8-4-5-18(15-20)16-25-14-13-17-9-11-21(12-10-17)26-22(24)19-6-2-1-3-7-19/h1-12,15,25H,13-14,16H2,(H2,24,26)
InChIKeyNSRMWBLHZFWUTA-UHFFFAOYSA-N
XLogP4.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide?
The IUPAC name of N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide (CID 18976253) is N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide is N/C(=N\c1ccc(CCNCc2cccc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide?
The InChIKey is NSRMWBLHZFWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c23-20-8-4-5-18(15-20)16-25-14-13-17-9-11-21(12-10-17)26-22(24)19-6-2-1-3-7-19/h1-12,15,25H,13-14,16H2,(H2,24,26).
What are the key properties of N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide?
N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide has a molecular weight of 363.89 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-[(3-chlorophenyl)methylamino]ethyl]phenyl]benzenecarboximidamide is sourced from PubChem (CID 18976253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).