N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide

C22H21ClN2O — CID 68854486

IUPACN-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-20-12-11-18(16-24-14-13-17-7-3-1-4-8-17)15-21(20)25-22(26)19-9-5-2-6-10-19/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyPGOPMUWEUHHUQT-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.92
Rot. Bonds7

About N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide

N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide (PubChem CID 68854486) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
PubChem CID68854486
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC NameN-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-20-12-11-18(16-24-14-13-17-7-3-1-4-8-17)15-21(20)25-22(26)19-9-5-2-6-10-19/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyPGOPMUWEUHHUQT-UHFFFAOYSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide?
The IUPAC name of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide (CID 68854486) is N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide.
What is the SMILES notation for N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide?
The canonical SMILES for N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide is O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide?
The InChIKey is PGOPMUWEUHHUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-20-12-11-18(16-24-14-13-17-7-3-1-4-8-17)15-21(20)25-22(26)19-9-5-2-6-10-19/h1-12,15,24H,13-14,16H2,(H,25,26).
What are the key properties of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide?
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide has a molecular weight of 364.88 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 68854486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).