N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide

C19H21BrN4O4 — CID 86955154

IUPACN-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1
InChIInChI=1S/C19H21BrN4O4/c1-12(17(21)25)23-7-9-24(10-8-23)19(27)13-3-2-4-14(11-13)22-18(26)15-5-6-16(20)28-15/h2-6,11-12H,7-10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyJNUCKXMRTGDCSF-UHFFFAOYSA-N
MW449.31 g/mol
LogP1.93
Rot. Bonds5

About N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide

N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide (PubChem CID 86955154) has the molecular formula C19H21BrN4O4 and a molecular weight of 449.31 g/mol. Its IUPAC name is N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
PubChem CID86955154
Molecular FormulaC19H21BrN4O4
Molecular Weight449.31 g/mol
Exact Mass448.07
IUPAC NameN-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1
InChIInChI=1S/C19H21BrN4O4/c1-12(17(21)25)23-7-9-24(10-8-23)19(27)13-3-2-4-14(11-13)22-18(26)15-5-6-16(20)28-15/h2-6,11-12H,7-10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyJNUCKXMRTGDCSF-UHFFFAOYSA-N
XLogP1.93
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
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CID 55868816
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 78888913
5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 49061820
5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55774560
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 55773981
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 60610299
5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 112835756
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide (CID 86955154) is N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide is CC(C(N)=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1.
What is the InChIKey of N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is JNUCKXMRTGDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O4/c1-12(17(21)25)23-7-9-24(10-8-23)19(27)13-3-2-4-14(11-13)22-18(26)15-5-6-16(20)28-15/h2-6,11-12H,7-10H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide?
N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 449.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 86955154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).