5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride

C20H26BrClN2O2 — CID 68949106

IUPAC5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NC(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C20H25BrN2O2.ClH/c1-14(12-15-6-2-3-7-15)22-13-16-8-4-5-9-17(16)23-20(24)18-10-11-19(21)25-18;/h4-5,8-11,14-15,22H,2-3,6-7,12-13H2,1H3,(H,23,24);1H/t14-;/m0./s1
InChIKeyIMZZSOQVRJUJPW-UQKRIMTDSA-N
MW441.80 g/mol
LogP5.77
Rot. Bonds7

About 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride

5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 68949106) has the molecular formula C20H26BrClN2O2 and a molecular weight of 441.80 g/mol. Its IUPAC name is 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID68949106
Molecular FormulaC20H26BrClN2O2
Molecular Weight441.80 g/mol
Exact Mass440.09
IUPAC Name5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NC(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C20H25BrN2O2.ClH/c1-14(12-15-6-2-3-7-15)22-13-16-8-4-5-9-17(16)23-20(24)18-10-11-19(21)25-18;/h4-5,8-11,14-15,22H,2-3,6-7,12-13H2,1H3,(H,23,24);1H/t14-;/m0./s1
InChIKeyIMZZSOQVRJUJPW-UQKRIMTDSA-N
XLogP5.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.80
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 68951696
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 68948097
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
CID 68953823
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride (CID 68949106) is 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride is C[C@@H](CC1CCCC1)NCc1ccccc1NC(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is IMZZSOQVRJUJPW-UQKRIMTDSA-N. The full InChI is InChI=1S/C20H25BrN2O2.ClH/c1-14(12-15-6-2-3-7-15)22-13-16-8-4-5-9-17(16)23-20(24)18-10-11-19(21)25-18;/h4-5,8-11,14-15,22H,2-3,6-7,12-13H2,1H3,(H,23,24);1H/t14-;/m0./s1.
What are the key properties of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 441.80 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 68949106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).