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

C10H10BrNO3 — CID 531406

IUPACmethyl 2-[(4-bromobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyBFHPUFUZMOHHQO-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.35
Rot. Bonds3

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

methyl 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 531406) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is methyl 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromobenzoyl)amino]acetate
PubChem CID531406
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Namemethyl 2-[(4-bromobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyBFHPUFUZMOHHQO-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hippuric Acid
CID 464
N-benzoylglycinate
CID 4402710
Methyl hippurate
CID 14566
2-Bromohippuric acid
CID 133721
Hippuric acid, monosodium salt
CID 516953
Ethyl Hippurate
CID 226558
Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413
3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
2-((4-Bromophenyl)formamido)acetic acid
CID 736919
l-Alanine, N-(4-fluorobenzoyl)-, methyl ester
CID 531396
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(4-bromobenzoyl)amino]acetate (CID 531406) is methyl 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-bromobenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is BFHPUFUZMOHHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(4-bromobenzoyl)amino]acetate?
methyl 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 272.10 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 531406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).