(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

C18H19BrClNO2 — CID 40771361

IUPAC(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C18H19BrClNO2/c1-4-13-7-5-6-11(2)17(13)21-18(22)12(3)23-16-9-8-14(20)10-15(16)19/h5-10,12H,4H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyLQXCCUGJBXKKRH-LBPRGKRZSA-N
MW396.71 g/mol
LogP5.38
Rot. Bonds5

About (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 40771361) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID40771361
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C18H19BrClNO2/c1-4-13-7-5-6-11(2)17(13)21-18(22)12(3)23-16-9-8-14(20)10-15(16)19/h5-10,12H,4H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyLQXCCUGJBXKKRH-LBPRGKRZSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
2-(2-bromo-4-chlorophenoxy)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55643696
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
(2R)-2-(2-bromo-4-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7547628
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 7709692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (CID 40771361) is (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is LQXCCUGJBXKKRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-4-13-7-5-6-11(2)17(13)21-18(22)12(3)23-16-9-8-14(20)10-15(16)19/h5-10,12H,4H2,1-3H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 396.71 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 40771361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).