(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide

C17H17BrClNO4 — CID 8728140

IUPAC(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1OC
InChIInChI=1S/C17H17BrClNO4/c1-10(24-14-6-4-11(19)8-13(14)18)17(21)20-12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyUWFTTWNXOMKHSS-SNVBAGLBSA-N
MW414.68 g/mol
LogP4.53
Rot. Bonds6

About (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide

(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 8728140) has the molecular formula C17H17BrClNO4 and a molecular weight of 414.68 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID8728140
Molecular FormulaC17H17BrClNO4
Molecular Weight414.68 g/mol
Exact Mass413.00
IUPAC Name(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1OC
InChIInChI=1S/C17H17BrClNO4/c1-10(24-14-6-4-11(19)8-13(14)18)17(21)20-12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyUWFTTWNXOMKHSS-SNVBAGLBSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide (CID 8728140) is (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1OC.
What is the InChIKey of (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is UWFTTWNXOMKHSS-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17BrClNO4/c1-10(24-14-6-4-11(19)8-13(14)18)17(21)20-12-5-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 414.68 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 8728140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).