N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

C16H15BrCl2N2O — CID 9254240

IUPACN-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2N2O/c1-10(12-7-6-11(18)8-14(12)19)20-9-16(22)21-15-5-3-2-4-13(15)17/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyUJKORGSVJMPWQG-SNVBAGLBSA-N
MW402.12 g/mol
LogP5.05
Rot. Bonds5

About N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (PubChem CID 9254240) has the molecular formula C16H15BrCl2N2O and a molecular weight of 402.12 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
PubChem CID9254240
Molecular FormulaC16H15BrCl2N2O
Molecular Weight402.12 g/mol
Exact Mass399.97
IUPAC NameN-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2N2O/c1-10(12-7-6-11(18)8-14(12)19)20-9-16(22)21-15-5-3-2-4-13(15)17/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyUJKORGSVJMPWQG-SNVBAGLBSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.12
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
CID 9254284
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
N-[2-(cyanomethylsulfanyl)phenyl]-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253770
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307050
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 29116891
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306583

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (CID 9254240) is N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The InChIKey is UJKORGSVJMPWQG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O/c1-10(12-7-6-11(18)8-14(12)19)20-9-16(22)21-15-5-3-2-4-13(15)17/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide has a molecular weight of 402.12 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).