3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide

C19H21BrN2O3 — CID 24547680

IUPAC3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
SMILESCCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H21BrN2O3/c1-3-17(13-7-9-16(25-2)10-8-13)22-18(23)12-21-19(24)14-5-4-6-15(20)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKNGIJGYNSWZRRI-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.45
Rot. Bonds7

About 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide

3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide (PubChem CID 24547680) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
PubChem CID24547680
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
SMILESCCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H21BrN2O3/c1-3-17(13-7-9-16(25-2)10-8-13)22-18(23)12-21-19(24)14-5-4-6-15(20)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKNGIJGYNSWZRRI-UHFFFAOYSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 17435888
3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 40789490
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 40791696
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide (CID 24547680) is 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide is CCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(OC)cc1.
What is the InChIKey of 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide?
The InChIKey is KNGIJGYNSWZRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-17(13-7-9-16(25-2)10-8-13)22-18(23)12-21-19(24)14-5-4-6-15(20)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide has a molecular weight of 405.29 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24547680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).