2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide

C22H19ClFNO3 — CID 86297131

IUPAC2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2Oc2cccc(C)c2)cc1F
InChIInChI=1S/C22H19ClFNO3/c1-14-5-3-6-16(11-14)28-20-8-4-7-17(23)21(20)22(26)25-13-15-9-10-19(27-2)18(24)12-15/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyQSNXEWGITYNHFI-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.52
Rot. Bonds6

About 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide (PubChem CID 86297131) has the molecular formula C22H19ClFNO3 and a molecular weight of 399.85 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
PubChem CID86297131
Molecular FormulaC22H19ClFNO3
Molecular Weight399.85 g/mol
Exact Mass399.10
IUPAC Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2Oc2cccc(C)c2)cc1F
InChIInChI=1S/C22H19ClFNO3/c1-14-5-3-6-16(11-14)28-20-8-4-7-17(23)21(20)22(26)25-13-15-9-10-19(27-2)18(24)12-15/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyQSNXEWGITYNHFI-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.85
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
CID 144727883
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86297315
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide (CID 86297131) is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide is COc1ccc(CNC(=O)c2c(Cl)cccc2Oc2cccc(C)c2)cc1F.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide?
The InChIKey is QSNXEWGITYNHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO3/c1-14-5-3-6-16(11-14)28-20-8-4-7-17(23)21(20)22(26)25-13-15-9-10-19(27-2)18(24)12-15/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide?
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide has a molecular weight of 399.85 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide is sourced from PubChem (CID 86297131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).