3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide

C14H15BrN2O2 — CID 107872467

IUPAC3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H15BrN2O2/c1-9-12(7-10(15)8-13(9)16)14(18)17-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,16H2,1H3,(H,17,18)
InChIKeyDYIZNCMJBYOBRX-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide

3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide (PubChem CID 107872467) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
PubChem CID107872467
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H15BrN2O2/c1-9-12(7-10(15)8-13(9)16)14(18)17-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,16H2,1H3,(H,17,18)
InChIKeyDYIZNCMJBYOBRX-UHFFFAOYSA-N
XLogP2.91
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.91
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

5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 107872355
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide (CID 107872467) is 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NCCc1ccco1.
What is the InChIKey of 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
The InChIKey is DYIZNCMJBYOBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-12(7-10(15)8-13(9)16)14(18)17-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide?
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide has a molecular weight of 323.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 107872467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).