2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C18H21BrN2O3 — CID 40684742

IUPAC2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H21BrN2O3/c1-23-16-8-3-13(11-17(16)24-2)9-10-20-18(22)12-21-15-6-4-14(19)5-7-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyDRWFEPZJPLYHSA-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.24
Rot. Bonds8

About 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 40684742) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID40684742
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H21BrN2O3/c1-23-16-8-3-13(11-17(16)24-2)9-10-20-18(22)12-21-15-6-4-14(19)5-7-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyDRWFEPZJPLYHSA-UHFFFAOYSA-N
XLogP3.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56574355
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 78908694
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
sodium;3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide;methanesulfonate
CID 23709772
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108908706
2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide
CID 10385537

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 40684742) is 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is DRWFEPZJPLYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-23-16-8-3-13(11-17(16)24-2)9-10-20-18(22)12-21-15-6-4-14(19)5-7-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 40684742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).