3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide

C14H15BrN2O2 — CID 61108067

IUPAC3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O2/c1-9-11(4-3-5-12(9)16)14(18)17(2)8-10-6-7-13(15)19-10/h3-7H,8,16H2,1-2H3
InChIKeyGZMOTULQXOBYBY-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.20
Rot. Bonds3

About 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide

3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide (PubChem CID 61108067) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
PubChem CID61108067
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O2/c1-9-11(4-3-5-12(9)16)14(18)17(2)8-10-6-7-13(15)19-10/h3-7H,8,16H2,1-2H3
InChIKeyGZMOTULQXOBYBY-UHFFFAOYSA-N
XLogP3.20
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
CID 61421960
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 51114491
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 71690396
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide (CID 61108067) is 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide?
The InChIKey is GZMOTULQXOBYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-11(4-3-5-12(9)16)14(18)17(2)8-10-6-7-13(15)19-10/h3-7H,8,16H2,1-2H3.
What are the key properties of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide?
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide has a molecular weight of 323.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 61108067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).