N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide

C84H66BrCl7N6O13 — CID 157319041

IUPACN-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1O.O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO2.C15H10ClNO2.C14H12ClNO3.C14H12ClNO2.C13H9BrClNO2.C13H9Cl2NO2/c2*1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;1-19-11-4-2-3-10(8-11)16-14(18)12-7-9(15)5-6-13(12)17;1-9-3-2-4-11(7-9)16-14(18)12-8-10(15)5-6-13(12)17;2*14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h3-9,18H,2H2,1H3,(H,17,19);1,3-9,18H,(H,17,19);2-8,17H,1H3,(H,16,18);2-8,17H,1H3,(H,16,18);2*1-7,17H,(H,16,18)
InChIKeyBDYGRRNARKEUJW-UHFFFAOYSA-N
MW1695.56 g/mol
LogP22.06
Rot. Bonds14

About N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide

N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide (PubChem CID 157319041) has the molecular formula C84H66BrCl7N6O13 and a molecular weight of 1695.56 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide
PubChem CID157319041
Molecular FormulaC84H66BrCl7N6O13
Molecular Weight1695.56 g/mol
Exact Mass1690.17
IUPAC NameN-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1O.O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO2.C15H10ClNO2.C14H12ClNO3.C14H12ClNO2.C13H9BrClNO2.C13H9Cl2NO2/c2*1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;1-19-11-4-2-3-10(8-11)16-14(18)12-7-9(15)5-6-13(12)17;1-9-3-2-4-11(7-9)16-14(18)12-8-10(15)5-6-13(12)17;2*14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h3-9,18H,2H2,1H3,(H,17,19);1,3-9,18H,(H,17,19);2-8,17H,1H3,(H,16,18);2-8,17H,1H3,(H,16,18);2*1-7,17H,(H,16,18)
InChIKeyBDYGRRNARKEUJW-UHFFFAOYSA-N
XLogP22.06
TPSA305.21 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001695.56
LogP ≤ 522.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide (CID 157319041) is N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide is C#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1O.O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide?
The InChIKey is BDYGRRNARKEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2.C15H10ClNO2.C14H12ClNO3.C14H12ClNO2.C13H9BrClNO2.C13H9Cl2NO2/c2*1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;1-19-11-4-2-3-10(8-11)16-14(18)12-7-9(15)5-6-13(12)17;1-9-3-2-4-11(7-9)16-14(18)12-8-10(15)5-6-13(12)17;2*14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h3-9,18H,2H2,1H3,(H,17,19);1,3-9,18H,(H,17,19);2-8,17H,1H3,(H,16,18);2-8,17H,1H3,(H,16,18);2*1-7,17H,(H,16,18).
What are the key properties of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide?
N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide has a molecular weight of 1695.56 g/mol, XLogP of 22.06, 14 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethynylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide;5-chloro-2-hydroxy-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 157319041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).