N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide

C22H19ClFNO3 — CID 10222591

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccccc2C(=O)NCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C22H19ClFNO3/c1-27-16-9-11-17(12-10-16)28-14-15-5-2-3-6-18(15)22(26)25-13-19-20(23)7-4-8-21(19)24/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyDRWVZSFAWSDBJL-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.00
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide (PubChem CID 10222591) has the molecular formula C22H19ClFNO3 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide
PubChem CID10222591
Molecular FormulaC22H19ClFNO3
Molecular Weight399.85 g/mol
Exact Mass399.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccccc2C(=O)NCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C22H19ClFNO3/c1-27-16-9-11-17(12-10-16)28-14-15-5-2-3-6-18(15)22(26)25-13-19-20(23)7-4-8-21(19)24/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyDRWVZSFAWSDBJL-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide (CID 10222591) is N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccccc2C(=O)NCc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide?
The InChIKey is DRWVZSFAWSDBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO3/c1-27-16-9-11-17(12-10-16)28-14-15-5-2-3-6-18(15)22(26)25-13-19-20(23)7-4-8-21(19)24/h2-12H,13-14H2,1H3,(H,25,26).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide has a molecular weight of 399.85 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 10222591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).