N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C21H19ClN4O5 — CID 60545586

IUPACN-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Cl)c1ccco1
InChIInChI=1S/C21H19ClN4O5/c22-15-13-14(5-6-16(15)24-19(27)17-3-1-11-30-17)23-21(29)26-9-7-25(8-10-26)20(28)18-4-2-12-31-18/h1-6,11-13H,7-10H2,(H,23,29)(H,24,27)
InChIKeyUWTXDNUMURMAOK-UHFFFAOYSA-N
MW442.86 g/mol
LogP3.77
Rot. Bonds4

About N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 60545586) has the molecular formula C21H19ClN4O5 and a molecular weight of 442.86 g/mol. Its IUPAC name is N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID60545586
Molecular FormulaC21H19ClN4O5
Molecular Weight442.86 g/mol
Exact Mass442.10
IUPAC NameN-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Cl)c1ccco1
InChIInChI=1S/C21H19ClN4O5/c22-15-13-14(5-6-16(15)24-19(27)17-3-1-11-30-17)23-21(29)26-9-7-25(8-10-26)20(28)18-4-2-12-31-18/h1-6,11-13H,7-10H2,(H,23,29)(H,24,27)
InChIKeyUWTXDNUMURMAOK-UHFFFAOYSA-N
XLogP3.77
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 60545741
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990335

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 60545586) is N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Cl)c1ccco1.
What is the InChIKey of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is UWTXDNUMURMAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O5/c22-15-13-14(5-6-16(15)24-19(27)17-3-1-11-30-17)23-21(29)26-9-7-25(8-10-26)20(28)18-4-2-12-31-18/h1-6,11-13H,7-10H2,(H,23,29)(H,24,27).
What are the key properties of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 442.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60545586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).