N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide

C21H18ClNO2 — CID 1004812

IUPACN-benzyl-3-[(2-chlorophenoxy)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(COc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClNO2/c22-19-11-4-5-12-20(19)25-15-17-9-6-10-18(13-17)21(24)23-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24)
InChIKeyUFQMBENFRXQILR-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.85
Rot. Bonds6

About N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide

N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide (PubChem CID 1004812) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(2-chlorophenoxy)methyl]benzamide
PubChem CID1004812
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC NameN-benzyl-3-[(2-chlorophenoxy)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(COc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClNO2/c22-19-11-4-5-12-20(19)25-15-17-9-6-10-18(13-17)21(24)23-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24)
InChIKeyUFQMBENFRXQILR-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide (CID 1004812) is N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide is O=C(NCc1ccccc1)c1cccc(COc2ccccc2Cl)c1.
What is the InChIKey of N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide?
The InChIKey is UFQMBENFRXQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-19-11-4-5-12-20(19)25-15-17-9-6-10-18(13-17)21(24)23-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide?
N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide has a molecular weight of 351.83 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 1004812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).