N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide

C19H12BrCl2NO3 — CID 21436614

IUPACN-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccc(Br)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H12BrCl2NO3/c20-11-1-5-14(6-2-11)26-18-8-4-13(22)10-16(18)23-19(25)15-9-12(21)3-7-17(15)24/h1-10,24H,(H,23,25)
InChIKeyJDJWMKDAGUKTEZ-UHFFFAOYSA-N
MW453.12 g/mol
LogP6.51
Rot. Bonds4

About N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide

N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 21436614) has the molecular formula C19H12BrCl2NO3 and a molecular weight of 453.12 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide
PubChem CID21436614
Molecular FormulaC19H12BrCl2NO3
Molecular Weight453.12 g/mol
Exact Mass450.94
IUPAC NameN-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccc(Br)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H12BrCl2NO3/c20-11-1-5-14(6-2-11)26-18-8-4-13(22)10-16(18)23-19(25)15-9-12(21)3-7-17(15)24/h1-10,24H,(H,23,25)
InChIKeyJDJWMKDAGUKTEZ-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

5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381231
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
CID 60567457
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide (CID 21436614) is N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1cc(Cl)ccc1Oc1ccc(Br)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is JDJWMKDAGUKTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2NO3/c20-11-1-5-14(6-2-11)26-18-8-4-13(22)10-16(18)23-19(25)15-9-12(21)3-7-17(15)24/h1-10,24H,(H,23,25).
What are the key properties of N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide?
N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-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-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 21436614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).