2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide

C17H17BrClNO2 — CID 4981315

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1C
InChIInChI=1S/C17H17BrClNO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(19)9-15(16)18/h4-9,12H,1-3H3,(H,20,21)
InChIKeyUCCXLZZEJFMICE-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.13
Rot. Bonds4

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

2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 4981315) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
PubChem CID4981315
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1C
InChIInChI=1S/C17H17BrClNO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(19)9-15(16)18/h4-9,12H,1-3H3,(H,20,21)
InChIKeyUCCXLZZEJFMICE-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
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
2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 46570126
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide (CID 4981315) is 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1C.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is UCCXLZZEJFMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(19)9-15(16)18/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 382.69 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 4981315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).