2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide

C17H17BrClFN2O — CID 9263412

IUPAC2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
SMILESCC[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrClFN2O/c1-2-15(11-3-5-12(18)6-4-11)21-10-17(23)22-16-9-13(19)7-8-14(16)20/h3-9,15,21H,2,10H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyQYMVIERMYQKSBC-HNNXBMFYSA-N
MW399.69 g/mol
LogP4.92
Rot. Bonds6

About 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide (PubChem CID 9263412) has the molecular formula C17H17BrClFN2O and a molecular weight of 399.69 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
PubChem CID9263412
Molecular FormulaC17H17BrClFN2O
Molecular Weight399.69 g/mol
Exact Mass398.02
IUPAC Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
SMILESCC[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrClFN2O/c1-2-15(11-3-5-12(18)6-4-11)21-10-17(23)22-16-9-13(19)7-8-14(16)20/h3-9,15,21H,2,10H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyQYMVIERMYQKSBC-HNNXBMFYSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
[(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263413
N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
CID 112809099
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
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-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263873
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263870

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide (CID 9263412) is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide is CC[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide?
The InChIKey is QYMVIERMYQKSBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17BrClFN2O/c1-2-15(11-3-5-12(18)6-4-11)21-10-17(23)22-16-9-13(19)7-8-14(16)20/h3-9,15,21H,2,10H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide?
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide has a molecular weight of 399.69 g/mol, XLogP of 4.92, 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-(5-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 9263412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).