N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide

C19H12BrCl2NO3 — CID 162656930

IUPACN-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)c(Br)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12BrCl2NO3/c20-15-10-12(6-7-17(15)26-13-4-2-1-3-5-13)23-19(25)14-8-11(21)9-16(22)18(14)24/h1-10,24H,(H,23,25)
InChIKeyPCCRWOVGKPJSDB-UHFFFAOYSA-N
MW453.12 g/mol
LogP6.51
Rot. Bonds4

About N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide

N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide (PubChem CID 162656930) has the molecular formula C19H12BrCl2NO3 and a molecular weight of 453.12 g/mol. Its IUPAC name is N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
PubChem CID162656930
Molecular FormulaC19H12BrCl2NO3
Molecular Weight453.12 g/mol
Exact Mass450.94
IUPAC NameN-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)c(Br)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12BrCl2NO3/c20-15-10-12(6-7-17(15)26-13-4-2-1-3-5-13)23-19(25)14-8-11(21)9-16(22)18(14)24/h1-10,24H,(H,23,25)
InChIKeyPCCRWOVGKPJSDB-UHFFFAOYSA-N
XLogP6.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.12
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]-2-hydroxybenzamide
CID 162650090
3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
CID 3555435
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 11270147
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 142662859
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
CID 1150855
N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide
CID 11441566
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
CID 11291166
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide?
The IUPAC name of N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide (CID 162656930) is N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide?
The canonical SMILES for N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide is O=C(Nc1ccc(Oc2ccccc2)c(Br)c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide?
The InChIKey is PCCRWOVGKPJSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2NO3/c20-15-10-12(6-7-17(15)26-13-4-2-1-3-5-13)23-19(25)14-8-11(21)9-16(22)18(14)24/h1-10,24H,(H,23,25).
What are the key properties of N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide?
N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide has a molecular weight of 453.12 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide is sourced from PubChem (CID 162656930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).