N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide

C15H16BrNO3 — CID 91653094

IUPACN-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCO)Cc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO3/c1-11-14(5-8-20-11)15(19)17(6-7-18)10-12-3-2-4-13(16)9-12/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyMRTIIINWIWFXRJ-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.99
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide

N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide (PubChem CID 91653094) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
PubChem CID91653094
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC NameN-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCO)Cc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO3/c1-11-14(5-8-20-11)15(19)17(6-7-18)10-12-3-2-4-13(16)9-12/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyMRTIIINWIWFXRJ-UHFFFAOYSA-N
XLogP2.99
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
CID 91653095
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
CID 42779867
1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 108901690
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide
CID 110895231

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide (CID 91653094) is N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N(CCO)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
The InChIKey is MRTIIINWIWFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-11-14(5-8-20-11)15(19)17(6-7-18)10-12-3-2-4-13(16)9-12/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide?
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 91653094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).