N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C18H20BrN3O3 — CID 2548686

IUPACN-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrN3O3/c1-22(11-17(23)20-14-8-6-13(19)7-9-14)12-18(24)21-15-4-3-5-16(10-15)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQCLXNVUVUPMQLW-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.97
Rot. Bonds7

About N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2548686) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2548686
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC NameN-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrN3O3/c1-22(11-17(23)20-14-8-6-13(19)7-9-14)12-18(24)21-15-4-3-5-16(10-15)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQCLXNVUVUPMQLW-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 2548686) is N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is QCLXNVUVUPMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-22(11-17(23)20-14-8-6-13(19)7-9-14)12-18(24)21-15-4-3-5-16(10-15)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 406.28 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2548686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).