N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide

C16H17BrN2O2 — CID 43713051

IUPACN-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-11-16(20)19-15-7-3-6-14(9-15)18-10-12-4-2-5-13(17)8-12/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyZQUGJVPBOYRAHS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.65
Rot. Bonds6

About N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide

N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide (PubChem CID 43713051) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
PubChem CID43713051
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-11-16(20)19-15-7-3-6-14(9-15)18-10-12-4-2-5-13(17)8-12/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyZQUGJVPBOYRAHS-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
CID 81410812
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide
CID 55775124
2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 62833409
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide (CID 43713051) is N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide?
The InChIKey is ZQUGJVPBOYRAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-11-16(20)19-15-7-3-6-14(9-15)18-10-12-4-2-5-13(17)8-12/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide?
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide has a molecular weight of 349.23 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 43713051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).