2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide

C18H19BrN2O2 — CID 78826242

IUPAC2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C18H19BrN2O2/c1-3-10-20-18(22)15-6-4-5-7-16(15)21-12-13-11-14(19)8-9-17(13)23-2/h3-9,11,21H,1,10,12H2,2H3,(H,20,22)
InChIKeyWKWINBVVGZHQMN-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.99
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide

2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide (PubChem CID 78826242) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide
PubChem CID78826242
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C18H19BrN2O2/c1-3-10-20-18(22)15-6-4-5-7-16(15)21-12-13-11-14(19)8-9-17(13)23-2/h3-9,11,21H,1,10,12H2,2H3,(H,20,22)
InChIKeyWKWINBVVGZHQMN-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-[(5-bromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43244253

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide (CID 78826242) is 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NCc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide?
The InChIKey is WKWINBVVGZHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-10-20-18(22)15-6-4-5-7-16(15)21-12-13-11-14(19)8-9-17(13)23-2/h3-9,11,21H,1,10,12H2,2H3,(H,20,22).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide?
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide has a molecular weight of 375.27 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 78826242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).