N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide

C16H15BrClNO2 — CID 7948935

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyIYRFELFNJKMFRX-LLVKDONJSA-N
MW368.66 g/mol
LogP4.36
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 7948935) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID7948935
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyIYRFELFNJKMFRX-LLVKDONJSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 7948935) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide is C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is IYRFELFNJKMFRX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 368.66 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 7948935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).