2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

C18H20BrNO — CID 841018

IUPAC2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO/c1-12-4-5-13(2)17(10-12)14(3)20-18(21)11-15-6-8-16(19)9-7-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyWILHWLIYWSUAKH-AWEZNQCLSA-N
MW346.27 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 841018) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID841018
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO/c1-12-4-5-13(2)17(10-12)14(3)20-18(21)11-15-6-8-16(19)9-7-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyWILHWLIYWSUAKH-AWEZNQCLSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 55773882
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 43009880
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 841018) is 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is WILHWLIYWSUAKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-4-5-13(2)17(10-12)14(3)20-18(21)11-15-6-8-16(19)9-7-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 346.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 841018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).