2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

C18H20BrNO3 — CID 100702613

IUPAC2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrNO3/c1-12(16-11-15(22-2)7-8-17(16)23-3)20-18(21)10-13-5-4-6-14(19)9-13/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyLMSPIPGRJYUMEF-LBPRGKRZSA-N
MW378.27 g/mol
LogP3.89
Rot. Bonds6

About 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 100702613) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID100702613
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrNO3/c1-12(16-11-15(22-2)7-8-17(16)23-3)20-18(21)10-13-5-4-6-14(19)9-13/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyLMSPIPGRJYUMEF-LBPRGKRZSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
(4-bromophenyl)methyl-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 8539990
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 100702613) is 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is LMSPIPGRJYUMEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12(16-11-15(22-2)7-8-17(16)23-3)20-18(21)10-13-5-4-6-14(19)9-13/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 100702613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).