2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide

C19H20BrN3O2 — CID 17391982

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
SMILESCOc1ccc(Br)cc1CN(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H20BrN3O2/c1-13(19(24)22-17-6-4-5-14(9-17)11-21)23(2)12-15-10-16(20)7-8-18(15)25-3/h4-10,13H,12H2,1-3H3,(H,22,24)
InChIKeyZDJQFNMPIXXURM-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.79
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide (PubChem CID 17391982) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
PubChem CID17391982
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
SMILESCOc1ccc(Br)cc1CN(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H20BrN3O2/c1-13(19(24)22-17-6-4-5-14(9-17)11-21)23(2)12-15-10-16(20)7-8-18(15)25-3/h4-10,13H,12H2,1-3H3,(H,22,24)
InChIKeyZDJQFNMPIXXURM-UHFFFAOYSA-N
XLogP3.79
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]propanamide
CID 40938280
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 52519987
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide (CID 17391982) is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide is COc1ccc(Br)cc1CN(C)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide?
The InChIKey is ZDJQFNMPIXXURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-13(19(24)22-17-6-4-5-14(9-17)11-21)23(2)12-15-10-16(20)7-8-18(15)25-3/h4-10,13H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide?
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide has a molecular weight of 402.29 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 17391982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).