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

C23H18BrClN2O2 — CID 997018

IUPAC4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide
SMILESO=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C23H18BrClN2O2/c24-20-3-1-2-4-22(20)29-14-15-5-7-16(8-6-15)23(28)26-13-19-12-17-11-18(25)9-10-21(17)27-19/h1-12,27H,13-14H2,(H,26,28)
InChIKeyIXMFNYWYQHOGHH-UHFFFAOYSA-N
MW469.77 g/mol
LogP6.09
Rot. Bonds6

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

4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide (PubChem CID 997018) has the molecular formula C23H18BrClN2O2 and a molecular weight of 469.77 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide
PubChem CID997018
Molecular FormulaC23H18BrClN2O2
Molecular Weight469.77 g/mol
Exact Mass468.02
IUPAC Name4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide
SMILESO=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C23H18BrClN2O2/c24-20-3-1-2-4-22(20)29-14-15-5-7-16(8-6-15)23(28)26-13-19-12-17-11-18(25)9-10-21(17)27-19/h1-12,27H,13-14H2,(H,26,28)
InChIKeyIXMFNYWYQHOGHH-UHFFFAOYSA-N
XLogP6.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
CID 997399
3-[(2-bromophenoxy)methyl]-N-(5-chloro-1H-indol-2-yl)-4-methoxybenzamide
CID 4773490
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
CID 117176713
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
CID 4617873
4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512587
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 1231821
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 1039541
4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
CID 134014692

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide (CID 997018) is 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide is O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide?
The InChIKey is IXMFNYWYQHOGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2O2/c24-20-3-1-2-4-22(20)29-14-15-5-7-16(8-6-15)23(28)26-13-19-12-17-11-18(25)9-10-21(17)27-19/h1-12,27H,13-14H2,(H,26,28).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide?
4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide has a molecular weight of 469.77 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide is sourced from PubChem (CID 997018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).