3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide

C15H17BrN2O2 — CID 107872485

IUPAC3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)Cc1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-9(6-12-4-3-5-20-12)18-15(19)13-7-11(16)8-14(17)10(13)2/h3-5,7-9H,6,17H2,1-2H3,(H,18,19)
InChIKeyDKOKWWTTYFOCKS-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.29
Rot. Bonds4

About 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide

3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide (PubChem CID 107872485) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
PubChem CID107872485
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)Cc1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-9(6-12-4-3-5-20-12)18-15(19)13-7-11(16)8-14(17)10(13)2/h3-5,7-9H,6,17H2,1-2H3,(H,18,19)
InChIKeyDKOKWWTTYFOCKS-UHFFFAOYSA-N
XLogP3.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.29
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

4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
CID 107025104
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
CID 114011367
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide (CID 107872485) is 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NC(C)Cc1ccco1.
What is the InChIKey of 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide?
The InChIKey is DKOKWWTTYFOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9(6-12-4-3-5-20-12)18-15(19)13-7-11(16)8-14(17)10(13)2/h3-5,7-9H,6,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide?
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide has a molecular weight of 337.22 g/mol, XLogP of 3.29, 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-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 107872485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).