N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide

C22H17BrN4O3 — CID 55602278

IUPACN-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C22H17BrN4O3/c23-17-13-25-27(14-17)19-9-5-16(6-10-19)21(28)24-12-15-3-7-18(8-4-15)26-22(29)20-2-1-11-30-20/h1-11,13-14H,12H2,(H,24,28)(H,26,29)
InChIKeyCZNIKFPWYVBGEX-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.41
Rot. Bonds6

About N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 55602278) has the molecular formula C22H17BrN4O3 and a molecular weight of 465.31 g/mol. Its IUPAC name is N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID55602278
Molecular FormulaC22H17BrN4O3
Molecular Weight465.31 g/mol
Exact Mass464.05
IUPAC NameN-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C22H17BrN4O3/c23-17-13-25-27(14-17)19-9-5-16(6-10-19)21(28)24-12-15-3-7-18(8-4-15)26-22(29)20-2-1-11-30-20/h1-11,13-14H,12H2,(H,24,28)(H,26,29)
InChIKeyCZNIKFPWYVBGEX-UHFFFAOYSA-N
XLogP4.41
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55758919
1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55871353
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide (CID 55602278) is N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is CZNIKFPWYVBGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3/c23-17-13-25-27(14-17)19-9-5-16(6-10-19)21(28)24-12-15-3-7-18(8-4-15)26-22(29)20-2-1-11-30-20/h1-11,13-14H,12H2,(H,24,28)(H,26,29).
What are the key properties of N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 465.31 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55602278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).