2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

C16H15BrClNO — CID 8751622

IUPAC2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO/c1-11(13-4-8-15(18)9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyAEPOFYDVPCFOFB-NSHDSACASA-N
MW352.66 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 8751622) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
PubChem CID8751622
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO/c1-11(13-4-8-15(18)9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyAEPOFYDVPCFOFB-NSHDSACASA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335230
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 110476879

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide (CID 8751622) is 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is AEPOFYDVPCFOFB-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11(13-4-8-15(18)9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 352.66 g/mol, XLogP of 4.52, 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-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 8751622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).