2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide

C20H25BrN2O2 — CID 46439306

IUPAC2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide
SMILESCCN(CC)Cc1cccc(NC(=O)C(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C20H25BrN2O2/c1-4-23(5-2)14-16-7-6-8-18(13-16)22-20(24)15(3)25-19-11-9-17(21)10-12-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyDHFWHVMMKJNQJY-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.70
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide

2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide (PubChem CID 46439306) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide
PubChem CID46439306
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide
SMILESCCN(CC)Cc1cccc(NC(=O)C(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C20H25BrN2O2/c1-4-23(5-2)14-16-7-6-8-18(13-16)22-20(24)15(3)25-19-11-9-17(21)10-12-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyDHFWHVMMKJNQJY-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 30378577
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide
CID 18279632
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788153
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide (CID 46439306) is 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide is CCN(CC)Cc1cccc(NC(=O)C(C)Oc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide?
The InChIKey is DHFWHVMMKJNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-4-23(5-2)14-16-7-6-8-18(13-16)22-20(24)15(3)25-19-11-9-17(21)10-12-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide?
2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide has a molecular weight of 405.34 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-(diethylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 46439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).