N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide

C20H15ClFNO5 — CID 139466938

IUPACN-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)c(Cl)c1)c1c(O)cc(O)cc1O
InChIInChI=1S/C20H15ClFNO5/c21-15-7-11(1-6-18(15)28-14-4-2-12(22)3-5-14)10-23-20(27)19-16(25)8-13(24)9-17(19)26/h1-9,24-26H,10H2,(H,23,27)
InChIKeyWMBWRKRQGCEQBA-UHFFFAOYSA-N
MW403.79 g/mol
LogP4.32
Rot. Bonds5

About N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide

N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide (PubChem CID 139466938) has the molecular formula C20H15ClFNO5 and a molecular weight of 403.79 g/mol. Its IUPAC name is N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide
PubChem CID139466938
Molecular FormulaC20H15ClFNO5
Molecular Weight403.79 g/mol
Exact Mass403.06
IUPAC NameN-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)c(Cl)c1)c1c(O)cc(O)cc1O
InChIInChI=1S/C20H15ClFNO5/c21-15-7-11(1-6-18(15)28-14-4-2-12(22)3-5-14)10-23-20(27)19-16(25)8-13(24)9-17(19)26/h1-9,24-26H,10H2,(H,23,27)
InChIKeyWMBWRKRQGCEQBA-UHFFFAOYSA-N
XLogP4.32
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
CID 139467157
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]-2-fluorobenzoic acid
CID 58905326
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
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
N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 143125922
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide?
The IUPAC name of N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide (CID 139466938) is N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide.
What is the SMILES notation for N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide?
The canonical SMILES for N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide is O=C(NCc1ccc(Oc2ccc(F)cc2)c(Cl)c1)c1c(O)cc(O)cc1O.
What is the InChIKey of N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide?
The InChIKey is WMBWRKRQGCEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO5/c21-15-7-11(1-6-18(15)28-14-4-2-12(22)3-5-14)10-23-20(27)19-16(25)8-13(24)9-17(19)26/h1-9,24-26H,10H2,(H,23,27).
What are the key properties of N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide?
N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide has a molecular weight of 403.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide is sourced from PubChem (CID 139466938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).