ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate

C24H23BrN2O3 — CID 2861880

IUPACethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-2-30-22(28)16-26-23(17-9-5-3-6-10-17)20-15-19(25)13-14-21(20)27-24(29)18-11-7-4-8-12-18/h3-15,23,26H,2,16H2,1H3,(H,27,29)
InChIKeyBVDSDSFBMWNKAQ-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.94
Rot. Bonds8

About ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate

ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate (PubChem CID 2861880) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate
PubChem CID2861880
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Nameethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-2-30-22(28)16-26-23(17-9-5-3-6-10-17)20-15-19(25)13-14-21(20)27-24(29)18-11-7-4-8-12-18/h3-15,23,26H,2,16H2,1H3,(H,27,29)
InChIKeyBVDSDSFBMWNKAQ-UHFFFAOYSA-N
XLogP4.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate (CID 2861880) is ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate is CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate?
The InChIKey is BVDSDSFBMWNKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-2-30-22(28)16-26-23(17-9-5-3-6-10-17)20-15-19(25)13-14-21(20)27-24(29)18-11-7-4-8-12-18/h3-15,23,26H,2,16H2,1H3,(H,27,29).
What are the key properties of ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate?
ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate has a molecular weight of 467.36 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-benzamido-5-bromophenyl)-phenylmethyl]amino]acetate is sourced from PubChem (CID 2861880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).