N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide

C21H17ClFNO4 — CID 100614872

IUPACN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C21H17ClFNO4/c1-26-15-4-3-5-16(12-15)28-20-9-7-14(22)11-18(20)24-21(25)13-6-8-19(27-2)17(23)10-13/h3-12H,1-2H3,(H,24,25)
InChIKeyMXQIYKUSQYNMON-UHFFFAOYSA-N
MW401.82 g/mol
LogP5.54
Rot. Bonds6

About N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide

N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide (PubChem CID 100614872) has the molecular formula C21H17ClFNO4 and a molecular weight of 401.82 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
PubChem CID100614872
Molecular FormulaC21H17ClFNO4
Molecular Weight401.82 g/mol
Exact Mass401.08
IUPAC NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C21H17ClFNO4/c1-26-15-4-3-5-16(12-15)28-20-9-7-14(22)11-18(20)24-21(25)13-6-8-19(27-2)17(23)10-13/h3-12H,1-2H3,(H,24,25)
InChIKeyMXQIYKUSQYNMON-UHFFFAOYSA-N
XLogP5.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.82
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 100587627
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
CID 100655365
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide (CID 100614872) is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide is COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is MXQIYKUSQYNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO4/c1-26-15-4-3-5-16(12-15)28-20-9-7-14(22)11-18(20)24-21(25)13-6-8-19(27-2)17(23)10-13/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide?
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 401.82 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 100614872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).