N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride

C16H19BrClN3O3 — CID 120507749

IUPACN-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C16H18BrN3O3.ClH/c1-10(9-18)19-15(21)11-5-3-4-6-12(11)20(2)16(22)13-7-8-14(17)23-13;/h3-8,10H,9,18H2,1-2H3,(H,19,21);1H/t10-;/m0./s1
InChIKeyFFTGGMJVISHSCK-PPHPATTJSA-N
MW416.70 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride

N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 120507749) has the molecular formula C16H19BrClN3O3 and a molecular weight of 416.70 g/mol. Its IUPAC name is N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID120507749
Molecular FormulaC16H19BrClN3O3
Molecular Weight416.70 g/mol
Exact Mass415.03
IUPAC NameN-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C16H18BrN3O3.ClH/c1-10(9-18)19-15(21)11-5-3-4-6-12(11)20(2)16(22)13-7-8-14(17)23-13;/h3-8,10H,9,18H2,1-2H3,(H,19,21);1H/t10-;/m0./s1
InChIKeyFFTGGMJVISHSCK-PPHPATTJSA-N
XLogP2.82
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.70
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride with MolForge

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Related Compounds

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5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
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5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55928894
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride (CID 120507749) is N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is FFTGGMJVISHSCK-PPHPATTJSA-N. The full InChI is InChI=1S/C16H18BrN3O3.ClH/c1-10(9-18)19-15(21)11-5-3-4-6-12(11)20(2)16(22)13-7-8-14(17)23-13;/h3-8,10H,9,18H2,1-2H3,(H,19,21);1H/t10-;/m0./s1.
What are the key properties of N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride?
N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 416.70 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120507749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).