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

C17H18BrClN2O — CID 9263506

IUPAC2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
SMILESCC[C@H](NCC(=O)Nc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O/c1-2-15(12-7-9-13(18)10-8-12)20-11-17(22)21-16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyWGOKAXJPSSJSCJ-HNNXBMFYSA-N
MW381.70 g/mol
LogP4.78
Rot. Bonds6

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

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide (PubChem CID 9263506) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
PubChem CID9263506
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
SMILESCC[C@H](NCC(=O)Nc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O/c1-2-15(12-7-9-13(18)10-8-12)20-11-17(22)21-16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyWGOKAXJPSSJSCJ-HNNXBMFYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
CID 9263761
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9263718
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263873

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide (CID 9263506) is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide is CC[C@H](NCC(=O)Nc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide?
The InChIKey is WGOKAXJPSSJSCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-2-15(12-7-9-13(18)10-8-12)20-11-17(22)21-16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide?
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide has a molecular weight of 381.70 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 9263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).