2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide

C24H19BrClNO3 — CID 71247061

IUPAC2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide
SMILESCc1cc(Cl)ccc1C(NC(=O)C(O)c1ccc2oc(Br)cc2c1)c1ccccc1
InChIInChI=1S/C24H19BrClNO3/c1-14-11-18(26)8-9-19(14)22(15-5-3-2-4-6-15)27-24(29)23(28)16-7-10-20-17(12-16)13-21(25)30-20/h2-13,22-23,28H,1H3,(H,27,29)
InChIKeyKGHCBJZUGIULMM-UHFFFAOYSA-N
MW484.78 g/mol
LogP6.10
Rot. Bonds5

About 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide

2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide (PubChem CID 71247061) has the molecular formula C24H19BrClNO3 and a molecular weight of 484.78 g/mol. Its IUPAC name is 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide
PubChem CID71247061
Molecular FormulaC24H19BrClNO3
Molecular Weight484.78 g/mol
Exact Mass483.02
IUPAC Name2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide
SMILESCc1cc(Cl)ccc1C(NC(=O)C(O)c1ccc2oc(Br)cc2c1)c1ccccc1
InChIInChI=1S/C24H19BrClNO3/c1-14-11-18(26)8-9-19(14)22(15-5-3-2-4-6-15)27-24(29)23(28)16-7-10-20-17(12-16)13-21(25)30-20/h2-13,22-23,28H,1H3,(H,27,29)
InChIKeyKGHCBJZUGIULMM-UHFFFAOYSA-N
XLogP6.10
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.78
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(2-hydroxy-1-pyridin-4-ylethyl)-1-benzofuran-6-yl]acetamide
CID 71247097
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(6-methyl-3,4-dihydropyridin-5-yl)-1,3-benzoxazol-5-yl]acetamide
CID 123797708
2-(3-chlorophenoxy)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772545
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(1-hydroxy-1-pyridin-4-ylethyl)-1-benzofuran-6-yl]acetamide
CID 71247096
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683432
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinolin-6-yl]acetamide
CID 71247503
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 46627394
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide?
The IUPAC name of 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide (CID 71247061) is 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide?
The canonical SMILES for 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide is Cc1cc(Cl)ccc1C(NC(=O)C(O)c1ccc2oc(Br)cc2c1)c1ccccc1.
What is the InChIKey of 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide?
The InChIKey is KGHCBJZUGIULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClNO3/c1-14-11-18(26)8-9-19(14)22(15-5-3-2-4-6-15)27-24(29)23(28)16-7-10-20-17(12-16)13-21(25)30-20/h2-13,22-23,28H,1H3,(H,27,29).
What are the key properties of 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide?
2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide has a molecular weight of 484.78 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-benzofuran-5-yl)-N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-hydroxyacetamide is sourced from PubChem (CID 71247061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).