2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide

C20H25BrN2O2 — CID 18279632

IUPAC2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide
SMILESCCN(c1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1)C(C)C
InChIInChI=1S/C20H25BrN2O2/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-20(24)15(4)25-19-12-6-16(21)7-13-19/h6-15H,5H2,1-4H3,(H,22,24)
InChIKeyKVKBTQBSIWYDIY-UHFFFAOYSA-N
MW405.34 g/mol
LogP5.09
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide

2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide (PubChem CID 18279632) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide
PubChem CID18279632
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide
SMILESCCN(c1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1)C(C)C
InChIInChI=1S/C20H25BrN2O2/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-20(24)15(4)25-19-12-6-16(21)7-13-19/h6-15H,5H2,1-4H3,(H,22,24)
InChIKeyKVKBTQBSIWYDIY-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide (CID 18279632) is 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide is CCN(c1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1)C(C)C.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide?
The InChIKey is KVKBTQBSIWYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-20(24)15(4)25-19-12-6-16(21)7-13-19/h6-15H,5H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide?
2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide has a molecular weight of 405.34 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 18279632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).