(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide

C12H15BrClNO2 — CID 40773106

IUPAC(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO2/c1-7(2)15-12(16)8(3)17-11-5-4-9(14)6-10(11)13/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyFLKPBLMLLIQJNK-MRVPVSSYSA-N
MW320.61 g/mol
LogP3.39
Rot. Bonds4

About (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide

(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide (PubChem CID 40773106) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
PubChem CID40773106
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO2/c1-7(2)15-12(16)8(3)17-11-5-4-9(14)6-10(11)13/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyFLKPBLMLLIQJNK-MRVPVSSYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide (CID 40773106) is (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is FLKPBLMLLIQJNK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-7(2)15-12(16)8(3)17-11-5-4-9(14)6-10(11)13/h4-8H,1-3H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide?
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 320.61 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 40773106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).