N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide

C18H20BrNO2 — CID 43885352

IUPACN-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-4-16(22-17-7-5-6-12(2)13(17)3)18(21)20-15-10-8-14(19)9-11-15/h5-11,16H,4H2,1-3H3,(H,20,21)
InChIKeyUDBRGTORKWKALR-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.86
Rot. Bonds5

About N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide

N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 43885352) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID43885352
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-4-16(22-17-7-5-6-12(2)13(17)3)18(21)20-15-10-8-14(19)9-11-15/h5-11,16H,4H2,1-3H3,(H,20,21)
InChIKeyUDBRGTORKWKALR-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 43885352) is N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is UDBRGTORKWKALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-16(22-17-7-5-6-12(2)13(17)3)18(21)20-15-10-8-14(19)9-11-15/h5-11,16H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide?
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 362.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 43885352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).