(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate

C17H16BrNO4 — CID 9364238

IUPAC(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
SMILESCOc1ccccc1COC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-22-15-5-3-2-4-13(15)11-23-16(20)10-19-17(21)12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyIDHNVFBKLZXTJS-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.93
Rot. Bonds6

About (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate

(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 9364238) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
PubChem CID9364238
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
SMILESCOc1ccccc1COC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO4/c1-22-15-5-3-2-4-13(15)11-23-16(20)10-19-17(21)12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyIDHNVFBKLZXTJS-UHFFFAOYSA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-bromobenzoyl)amino]acetate
CID 31272021
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
cyanomethyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364242

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate (CID 9364238) is (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate is COc1ccccc1COC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is IDHNVFBKLZXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-22-15-5-3-2-4-13(15)11-23-16(20)10-19-17(21)12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate?
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 378.22 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 9364238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).