N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide

C16H14BrCl2NO — CID 7948938

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrCl2NO/c1-10(11-5-7-12(17)8-6-11)20-16(21)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeySVNNLWFZBFIHAL-JTQLQIEISA-N
MW387.10 g/mol
LogP5.18
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 7948938) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID7948938
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrCl2NO/c1-10(11-5-7-12(17)8-6-11)20-16(21)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeySVNNLWFZBFIHAL-JTQLQIEISA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide (CID 7948938) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide is C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is SVNNLWFZBFIHAL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-10(11-5-7-12(17)8-6-11)20-16(21)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 387.10 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 7948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).