ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate

C14H17Br2NO3 — CID 103908490

IUPACethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(Br)cc(Br)c1)C(C)C
InChIInChI=1S/C14H17Br2NO3/c1-4-20-13(18)8-17(9(2)3)14(19)10-5-11(15)7-12(16)6-10/h5-7,9H,4,8H2,1-3H3
InChIKeyCHSYSARJQGQIBO-UHFFFAOYSA-N
MW407.10 g/mol
LogP3.63
Rot. Bonds5

About ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate

ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate (PubChem CID 103908490) has the molecular formula C14H17Br2NO3 and a molecular weight of 407.10 g/mol. Its IUPAC name is ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
PubChem CID103908490
Molecular FormulaC14H17Br2NO3
Molecular Weight407.10 g/mol
Exact Mass404.96
IUPAC Nameethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(Br)cc(Br)c1)C(C)C
InChIInChI=1S/C14H17Br2NO3/c1-4-20-13(18)8-17(9(2)3)14(19)10-5-11(15)7-12(16)6-10/h5-7,9H,4,8H2,1-3H3
InChIKeyCHSYSARJQGQIBO-UHFFFAOYSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.10
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-3,5-dibromo-N-propan-2-ylbenzamide
CID 107972248
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
ethyl 2-[(2-amino-4-bromobenzoyl)-propan-2-ylamino]acetate
CID 79723037
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
CID 107952118
ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
CID 61021441
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate (CID 103908490) is ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1cc(Br)cc(Br)c1)C(C)C.
What is the InChIKey of ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate?
The InChIKey is CHSYSARJQGQIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO3/c1-4-20-13(18)8-17(9(2)3)14(19)10-5-11(15)7-12(16)6-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate?
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate has a molecular weight of 407.10 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 103908490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).