2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

C19H22BrNO3 — CID 113091536

IUPAC2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)NC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-19(2,14-7-10-16(23-3)17(12-14)24-4)21-18(22)11-13-5-8-15(20)9-6-13/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyDNZXCLBYVNTXIB-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (PubChem CID 113091536) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
PubChem CID113091536
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)NC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-19(2,14-7-10-16(23-3)17(12-14)24-4)21-18(22)11-13-5-8-15(20)9-6-13/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyDNZXCLBYVNTXIB-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
2-(4-acetamidophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 39614047
2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 65350197
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935130

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (CID 113091536) is 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is COc1ccc(C(C)(C)NC(=O)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The InChIKey is DNZXCLBYVNTXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-19(2,14-7-10-16(23-3)17(12-14)24-4)21-18(22)11-13-5-8-15(20)9-6-13/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 113091536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).