2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide

C17H17BrClN3O2 — CID 2699189

IUPAC2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-16(23)20-14-7-5-13(19)6-8-14)11-17(24)21-15-4-2-3-12(18)9-15/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXZPPWWPXTZUAJL-UHFFFAOYSA-N
MW410.70 g/mol
LogP3.61
Rot. Bonds6

About 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide

2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 2699189) has the molecular formula C17H17BrClN3O2 and a molecular weight of 410.70 g/mol. Its IUPAC name is 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
PubChem CID2699189
Molecular FormulaC17H17BrClN3O2
Molecular Weight410.70 g/mol
Exact Mass409.02
IUPAC Name2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-16(23)20-14-7-5-13(19)6-8-14)11-17(24)21-15-4-2-3-12(18)9-15/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXZPPWWPXTZUAJL-UHFFFAOYSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide (CID 2699189) is 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is XZPPWWPXTZUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O2/c1-22(10-16(23)20-14-7-5-13(19)6-8-14)11-17(24)21-15-4-2-3-12(18)9-15/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 410.70 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2699189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).