N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide

C20H16ClNO2 — CID 971337

IUPACN-[(2-chlorophenyl)methyl]-2-phenoxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-18-12-6-4-8-15(18)14-22-20(23)17-11-5-7-13-19(17)24-16-9-2-1-3-10-16/h1-13H,14H2,(H,22,23)
InChIKeyIPICCBCPDIMCHU-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.06
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide

N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide (PubChem CID 971337) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-phenoxybenzamide
PubChem CID971337
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-phenoxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-18-12-6-4-8-15(18)14-22-20(23)17-11-5-7-13-19(17)24-16-9-2-1-3-10-16/h1-13H,14H2,(H,22,23)
InChIKeyIPICCBCPDIMCHU-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide (CID 971337) is N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide is O=C(NCc1ccccc1Cl)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide?
The InChIKey is IPICCBCPDIMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-18-12-6-4-8-15(18)14-22-20(23)17-11-5-7-13-19(17)24-16-9-2-1-3-10-16/h1-13H,14H2,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide?
N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide has a molecular weight of 337.81 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 971337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).