(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide

C16H15BrClNO2 — CID 1009322

IUPAC(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-10-8-13(18)6-7-15(10)21-11(2)16(20)19-14-5-3-4-12(17)9-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyFBLPFXARKXZVCO-LLVKDONJSA-N
MW368.66 g/mol
LogP4.82
Rot. Bonds4

About (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide

(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 1009322) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID1009322
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-10-8-13(18)6-7-15(10)21-11(2)16(20)19-14-5-3-4-12(17)9-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyFBLPFXARKXZVCO-LLVKDONJSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
dimethyl 5-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 2862436

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide (CID 1009322) is (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is FBLPFXARKXZVCO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10-8-13(18)6-7-15(10)21-11(2)16(20)19-14-5-3-4-12(17)9-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide?
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 1009322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).