3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide

C23H18BrClN2O3 — CID 4773490

IUPAC3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3cc(Cl)ccc3[nH]2)cc1COc1ccccc1Br
InChIInChI=1S/C23H18BrClN2O3/c1-29-20-9-6-14(10-16(20)13-30-21-5-3-2-4-18(21)24)23(28)27-22-12-15-11-17(25)7-8-19(15)26-22/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyVZDAHXHENXGNAF-UHFFFAOYSA-N
MW485.77 g/mol
LogP6.42
Rot. Bonds6

About 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide

3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide (PubChem CID 4773490) has the molecular formula C23H18BrClN2O3 and a molecular weight of 485.77 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide
PubChem CID4773490
Molecular FormulaC23H18BrClN2O3
Molecular Weight485.77 g/mol
Exact Mass484.02
IUPAC Name3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc3cc(Cl)ccc3[nH]2)cc1COc1ccccc1Br
InChIInChI=1S/C23H18BrClN2O3/c1-29-20-9-6-14(10-16(20)13-30-21-5-3-2-4-18(21)24)23(28)27-22-12-15-11-17(25)7-8-19(15)26-22/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyVZDAHXHENXGNAF-UHFFFAOYSA-N
XLogP6.42
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.77
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
CID 997399
N-(2-acetyl-4,5-dimethoxyphenyl)-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide
CID 997491
4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide
CID 997018
3-[(2-bromophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 997517
3-[(2-bromophenoxy)methyl]-4-methoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 17021122
(E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566951
3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19335177
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
(E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566883
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide (CID 4773490) is 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc3cc(Cl)ccc3[nH]2)cc1COc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide?
The InChIKey is VZDAHXHENXGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2O3/c1-29-20-9-6-14(10-16(20)13-30-21-5-3-2-4-18(21)24)23(28)27-22-12-15-11-17(25)7-8-19(15)26-22/h2-12,26H,13H2,1H3,(H,27,28).
What are the key properties of 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide?
3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide has a molecular weight of 485.77 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 4773490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).