N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide

C20H12BrCl2NO3 — CID 71343570

IUPACN-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide
SMILESO=C(c1ccccc1)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Br)c2O)c1
InChIInChI=1S/C20H12BrCl2NO3/c21-15-10-13(22)9-14(19(15)26)20(27)24-17-8-12(6-7-16(17)23)18(25)11-4-2-1-3-5-11/h1-10,26H,(H,24,27)
InChIKeyGYMRARJCZSWCPQ-UHFFFAOYSA-N
MW465.13 g/mol
LogP5.94
Rot. Bonds4

About N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide

N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide (PubChem CID 71343570) has the molecular formula C20H12BrCl2NO3 and a molecular weight of 465.13 g/mol. Its IUPAC name is N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide
PubChem CID71343570
Molecular FormulaC20H12BrCl2NO3
Molecular Weight465.13 g/mol
Exact Mass462.94
IUPAC NameN-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide
SMILESO=C(c1ccccc1)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Br)c2O)c1
InChIInChI=1S/C20H12BrCl2NO3/c21-15-10-13(22)9-14(19(15)26)20(27)24-17-8-12(6-7-16(17)23)18(25)11-4-2-1-3-5-11/h1-10,26H,(H,24,27)
InChIKeyGYMRARJCZSWCPQ-UHFFFAOYSA-N
XLogP5.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.13
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
N-(5-benzoyl-2-chlorophenyl)-3-oxobutanamide
CID 154130409
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
CID 3555435
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
CID 125473458
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide (CID 71343570) is N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide is O=C(c1ccccc1)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Br)c2O)c1.
What is the InChIKey of N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide?
The InChIKey is GYMRARJCZSWCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrCl2NO3/c21-15-10-13(22)9-14(19(15)26)20(27)24-17-8-12(6-7-16(17)23)18(25)11-4-2-1-3-5-11/h1-10,26H,(H,24,27).
What are the key properties of N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide?
N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide has a molecular weight of 465.13 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 71343570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).