N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide

C17H19BrN2O2 — CID 109022224

IUPACN-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN2O2/c1-22-16-9-5-2-6-13(16)12-19-11-10-17(21)20-15-8-4-3-7-14(15)18/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeySIZJXBPLJWGQQU-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.58
Rot. Bonds7

About N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide

N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide (PubChem CID 109022224) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
PubChem CID109022224
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN2O2/c1-22-16-9-5-2-6-13(16)12-19-11-10-17(21)20-15-8-4-3-7-14(15)18/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeySIZJXBPLJWGQQU-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 109022218
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031154
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018711
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019380
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide (CID 109022224) is N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide is COc1ccccc1CNCCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The InChIKey is SIZJXBPLJWGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-22-16-9-5-2-6-13(16)12-19-11-10-17(21)20-15-8-4-3-7-14(15)18/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide has a molecular weight of 363.26 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).