2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide

C18H19ClFNO3 — CID 86297319

IUPAC2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2OC(C)C)cc1F
InChIInChI=1S/C18H19ClFNO3/c1-11(2)24-16-6-4-5-13(19)17(16)18(22)21-10-12-7-8-15(23-3)14(20)9-12/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyAVFHHIBWXNHVRE-UHFFFAOYSA-N
MW351.81 g/mol
LogP4.20
Rot. Bonds6

About 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide (PubChem CID 86297319) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
PubChem CID86297319
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2OC(C)C)cc1F
InChIInChI=1S/C18H19ClFNO3/c1-11(2)24-16-6-4-5-13(19)17(16)18(22)21-10-12-7-8-15(23-3)14(20)9-12/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyAVFHHIBWXNHVRE-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
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-[(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
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 86295295
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide (CID 86297319) is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide is COc1ccc(CNC(=O)c2c(Cl)cccc2OC(C)C)cc1F.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide?
The InChIKey is AVFHHIBWXNHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-11(2)24-16-6-4-5-13(19)17(16)18(22)21-10-12-7-8-15(23-3)14(20)9-12/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide?
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide has a molecular weight of 351.81 g/mol, XLogP of 4.20, 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-propan-2-yloxybenzamide is sourced from PubChem (CID 86297319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).