N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide

C16H12BrCl2N3O3 — CID 71906365

IUPACN-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C16H12BrCl2N3O3/c17-9-6-11(19)14(23)12(7-9)21-15(24)8-1-2-10(18)13(5-8)22-4-3-20-16(22)25/h1-2,5-7,23H,3-4H2,(H,20,25)(H,21,24)
InChIKeyIVAQXVACXWHDDL-UHFFFAOYSA-N
MW445.10 g/mol
LogP4.24
Rot. Bonds3

About N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide

N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 71906365) has the molecular formula C16H12BrCl2N3O3 and a molecular weight of 445.10 g/mol. Its IUPAC name is N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID71906365
Molecular FormulaC16H12BrCl2N3O3
Molecular Weight445.10 g/mol
Exact Mass442.94
IUPAC NameN-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C16H12BrCl2N3O3/c17-9-6-11(19)14(23)12(7-9)21-15(24)8-1-2-10(18)13(5-8)22-4-3-20-16(22)25/h1-2,5-7,23H,3-4H2,(H,20,25)(H,21,24)
InChIKeyIVAQXVACXWHDDL-UHFFFAOYSA-N
XLogP4.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.10
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120505177
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696743
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119204560
N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119615884
4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 136528613
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119574562
N-(1-amino-2,4-dimethylpentan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119599252
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
(3S,4S)-1-[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953519
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547529

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide (CID 71906365) is N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide is O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(Cl)c(N2CCNC2=O)c1.
What is the InChIKey of N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is IVAQXVACXWHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2N3O3/c17-9-6-11(19)14(23)12(7-9)21-15(24)8-1-2-10(18)13(5-8)22-4-3-20-16(22)25/h1-2,5-7,23H,3-4H2,(H,20,25)(H,21,24).
What are the key properties of N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 445.10 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 71906365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).