2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide

C19H22BrN3O3 — CID 4788010

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O3/c1-23(13-19(25)22-17-6-4-3-5-16(17)20)12-18(24)21-11-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySNTUDTAAFAXMBH-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.64
Rot. Bonds8

About 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 4788010) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID4788010
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O3/c1-23(13-19(25)22-17-6-4-3-5-16(17)20)12-18(24)21-11-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySNTUDTAAFAXMBH-UHFFFAOYSA-N
XLogP2.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 4788010) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is SNTUDTAAFAXMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-23(13-19(25)22-17-6-4-3-5-16(17)20)12-18(24)21-11-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 420.31 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4788010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).