2-[(3-amino-5-bromophenoxy)methyl]benzamide

C14H13BrN2O2 — CID 103588227

IUPAC2-[(3-amino-5-bromophenoxy)methyl]benzamide
SMILESNC(=O)c1ccccc1COc1cc(N)cc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-10-5-11(16)7-12(6-10)19-8-9-3-1-2-4-13(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyVLNBXJWOUAJVNP-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.71
Rot. Bonds4

About 2-[(3-amino-5-bromophenoxy)methyl]benzamide

2-[(3-amino-5-bromophenoxy)methyl]benzamide (PubChem CID 103588227) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(3-amino-5-bromophenoxy)methyl]benzamide.

Molecular Properties

Compound Name2-[(3-amino-5-bromophenoxy)methyl]benzamide
PubChem CID103588227
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[(3-amino-5-bromophenoxy)methyl]benzamide
SMILESNC(=O)c1ccccc1COc1cc(N)cc(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-10-5-11(16)7-12(6-10)19-8-9-3-1-2-4-13(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyVLNBXJWOUAJVNP-UHFFFAOYSA-N
XLogP2.71
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-amino-6-[(3-bromo-5-fluorophenoxy)methyl]benzoic acid
CID 104825543
2-(dibromomethoxymethyl)benzamide
CID 142794227
2-[(3,5-difluorophenoxy)methyl]benzenecarbothioamide
CID 62783746
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
methyl 2-[(5-bromo-3-pyridinyl)oxymethyl]benzoate
CID 82976044

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromophenoxy)methyl]benzamide?
The IUPAC name of 2-[(3-amino-5-bromophenoxy)methyl]benzamide (CID 103588227) is 2-[(3-amino-5-bromophenoxy)methyl]benzamide.
What is the SMILES notation for 2-[(3-amino-5-bromophenoxy)methyl]benzamide?
The canonical SMILES for 2-[(3-amino-5-bromophenoxy)methyl]benzamide is NC(=O)c1ccccc1COc1cc(N)cc(Br)c1.
What is the InChIKey of 2-[(3-amino-5-bromophenoxy)methyl]benzamide?
The InChIKey is VLNBXJWOUAJVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-10-5-11(16)7-12(6-10)19-8-9-3-1-2-4-13(9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 2-[(3-amino-5-bromophenoxy)methyl]benzamide?
2-[(3-amino-5-bromophenoxy)methyl]benzamide has a molecular weight of 321.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromophenoxy)methyl]benzamide is sourced from PubChem (CID 103588227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).