2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide

C20H14BrClN4O2 — CID 17220188

IUPAC2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1Cl
InChIInChI=1S/C20H14BrClN4O2/c1-28-19-9-7-13(11-16(19)22)26-24-17-8-6-12(10-18(17)25-26)23-20(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,27)
InChIKeyLQENXQXKKUPVRB-UHFFFAOYSA-N
MW457.72 g/mol
LogP5.10
Rot. Bonds4

About 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide

2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 17220188) has the molecular formula C20H14BrClN4O2 and a molecular weight of 457.72 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID17220188
Molecular FormulaC20H14BrClN4O2
Molecular Weight457.72 g/mol
Exact Mass456.00
IUPAC Name2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1Cl
InChIInChI=1S/C20H14BrClN4O2/c1-28-19-9-7-13(11-16(19)22)26-24-17-8-6-12(10-18(17)25-26)23-20(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,27)
InChIKeyLQENXQXKKUPVRB-UHFFFAOYSA-N
XLogP5.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.72
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220198
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 17220209
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodobenzamide
CID 1016818
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 21229425
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
CID 17220216
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
5-bromo-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 4039694
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-(2-fluorophenoxy)acetamide
CID 17220308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 17220188) is 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide is COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1Cl.
What is the InChIKey of 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is LQENXQXKKUPVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN4O2/c1-28-19-9-7-13(11-16(19)22)26-24-17-8-6-12(10-18(17)25-26)23-20(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,27).
What are the key properties of 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 457.72 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17220188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).