N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide

C18H19BrClNO2 — CID 19228929

IUPACN-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H19BrClNO2/c1-10-7-14(19)5-6-16(10)21-18(22)13(4)23-15-8-11(2)17(20)12(3)9-15/h5-9,13H,1-4H3,(H,21,22)
InChIKeyYTROCYHIGVIVIV-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.43
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide

N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide (PubChem CID 19228929) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
PubChem CID19228929
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H19BrClNO2/c1-10-7-14(19)5-6-16(10)21-18(22)13(4)23-15-8-11(2)17(20)12(3)9-15/h5-9,13H,1-4H3,(H,21,22)
InChIKeyYTROCYHIGVIVIV-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 21173368
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide (CID 19228929) is N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide is Cc1cc(Br)ccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
The InChIKey is YTROCYHIGVIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-10-7-14(19)5-6-16(10)21-18(22)13(4)23-15-8-11(2)17(20)12(3)9-15/h5-9,13H,1-4H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide has a molecular weight of 396.71 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 19228929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).