(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate

C16H12BrF2NO3 — CID 8662567

IUPAC(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCc1ccc(Br)cc1F
InChIInChI=1S/C16H12BrF2NO3/c17-12-5-4-11(14(19)7-12)9-23-15(21)8-20-16(22)10-2-1-3-13(18)6-10/h1-7H,8-9H2,(H,20,22)
InChIKeyFPBJHWZAIJHGBB-UHFFFAOYSA-N
MW384.18 g/mol
LogP3.20
Rot. Bonds5

About (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate

(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662567) has the molecular formula C16H12BrF2NO3 and a molecular weight of 384.18 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662567
Molecular FormulaC16H12BrF2NO3
Molecular Weight384.18 g/mol
Exact Mass383.00
IUPAC Name(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCc1ccc(Br)cc1F
InChIInChI=1S/C16H12BrF2NO3/c17-12-5-4-11(14(19)7-12)9-23-15(21)8-20-16(22)10-2-1-3-13(18)6-10/h1-7H,8-9H2,(H,20,22)
InChIKeyFPBJHWZAIJHGBB-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluorophenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883115
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662659
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651185
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8521617
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996
(3-carbamoylphenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 55634531
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate (CID 8662567) is (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OCc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is FPBJHWZAIJHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2NO3/c17-12-5-4-11(14(19)7-12)9-23-15(21)8-20-16(22)10-2-1-3-13(18)6-10/h1-7H,8-9H2,(H,20,22).
What are the key properties of (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 384.18 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).