(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide

C16H15BrClNO2 — CID 9165332

IUPAC(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO2/c1-11(21-15-7-5-13(17)6-8-15)16(20)19-10-12-3-2-4-14(18)9-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyLVVFTJYBSFHWJZ-LLVKDONJSA-N
MW368.66 g/mol
LogP4.19
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide

(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 9165332) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
PubChem CID9165332
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO2/c1-11(21-15-7-5-13(17)6-8-15)16(20)19-10-12-3-2-4-14(18)9-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyLVVFTJYBSFHWJZ-LLVKDONJSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide (CID 9165332) is (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide is C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is LVVFTJYBSFHWJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11(21-15-7-5-13(17)6-8-15)16(20)19-10-12-3-2-4-14(18)9-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 9165332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).