N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide

C77H73BrCl5N5O10 — CID 161360505

IUPACN-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide
SMILESCCCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H18ClNO2.2C16H16ClNO2.C15H14ClNO2.C13H9BrClNO2/c1-2-3-5-12-6-4-7-14(10-12)19-17(21)15-11-13(18)8-9-16(15)20;1-3-11-6-10(2)7-13(8-11)18-16(20)14-9-12(17)4-5-15(14)19;1-2-4-11-5-3-6-13(9-11)18-16(20)14-10-12(17)7-8-15(14)19;1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h4,6-11,20H,2-3,5H2,1H3,(H,19,21);4-9,19H,3H2,1-2H3,(H,18,20);3,5-10,19H,2,4H2,1H3,(H,18,20);3-9,18H,2H2,1H3,(H,17,19);1-7,17H,(H,16,18)
InChIKeyVPCKXMHREGTOIX-UHFFFAOYSA-N
MW1485.62 g/mol
LogP20.98
Rot. Bonds17

About N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide

N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide (PubChem CID 161360505) has the molecular formula C77H73BrCl5N5O10 and a molecular weight of 1485.62 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide
PubChem CID161360505
Molecular FormulaC77H73BrCl5N5O10
Molecular Weight1485.62 g/mol
Exact Mass1481.30
IUPAC NameN-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide
SMILESCCCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H18ClNO2.2C16H16ClNO2.C15H14ClNO2.C13H9BrClNO2/c1-2-3-5-12-6-4-7-14(10-12)19-17(21)15-11-13(18)8-9-16(15)20;1-3-11-6-10(2)7-13(8-11)18-16(20)14-9-12(17)4-5-15(14)19;1-2-4-11-5-3-6-13(9-11)18-16(20)14-10-12(17)7-8-15(14)19;1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h4,6-11,20H,2-3,5H2,1H3,(H,19,21);4-9,19H,3H2,1-2H3,(H,18,20);3,5-10,19H,2,4H2,1H3,(H,18,20);3-9,18H,2H2,1H3,(H,17,19);1-7,17H,(H,16,18)
InChIKeyVPCKXMHREGTOIX-UHFFFAOYSA-N
XLogP20.98
TPSA246.65 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001485.62
LogP ≤ 520.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide (CID 161360505) is N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide is CCCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1.CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide?
The InChIKey is VPCKXMHREGTOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2.2C16H16ClNO2.C15H14ClNO2.C13H9BrClNO2/c1-2-3-5-12-6-4-7-14(10-12)19-17(21)15-11-13(18)8-9-16(15)20;1-3-11-6-10(2)7-13(8-11)18-16(20)14-9-12(17)4-5-15(14)19;1-2-4-11-5-3-6-13(9-11)18-16(20)14-10-12(17)7-8-15(14)19;1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h4,6-11,20H,2-3,5H2,1H3,(H,19,21);4-9,19H,3H2,1-2H3,(H,18,20);3,5-10,19H,2,4H2,1H3,(H,18,20);3-9,18H,2H2,1H3,(H,17,19);1-7,17H,(H,16,18).
What are the key properties of N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide?
N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide has a molecular weight of 1485.62 g/mol, XLogP of 20.98, 17 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-chloro-2-hydroxybenzamide;N-(3-butylphenyl)-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-ethyl-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-propylphenyl)benzamide is sourced from PubChem (CID 161360505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).