3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide

C18H21BrN2O2 — CID 86931919

IUPAC3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
SMILESCN(C)Cc1cccc(NC(=O)CCOc2cccc(Br)c2)c1
InChIInChI=1S/C18H21BrN2O2/c1-21(2)13-14-5-3-7-16(11-14)20-18(22)9-10-23-17-8-4-6-15(19)12-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyHFRWVZRBLLAQML-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.92
Rot. Bonds7

About 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide

3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide (PubChem CID 86931919) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
PubChem CID86931919
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
SMILESCN(C)Cc1cccc(NC(=O)CCOc2cccc(Br)c2)c1
InChIInChI=1S/C18H21BrN2O2/c1-21(2)13-14-5-3-7-16(11-14)20-18(22)9-10-23-17-8-4-6-15(19)12-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyHFRWVZRBLLAQML-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26687166
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide (CID 86931919) is 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide is CN(C)Cc1cccc(NC(=O)CCOc2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
The InChIKey is HFRWVZRBLLAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-21(2)13-14-5-3-7-16(11-14)20-18(22)9-10-23-17-8-4-6-15(19)12-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide?
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide has a molecular weight of 377.28 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 86931919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).