N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide

C16H16ClN3O4 — CID 952498

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H16ClN3O4/c17-11-5-4-6-12(15(11)19-9-2-1-3-10-19)18-16(21)13-7-8-14(24-13)20(22)23/h4-8H,1-3,9-10H2,(H,18,21)
InChIKeyBDNUPMUAXKYCET-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.08
Rot. Bonds4

About N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide

N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 952498) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID952498
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H16ClN3O4/c17-11-5-4-6-12(15(11)19-9-2-1-3-10-19)18-16(21)13-7-8-14(24-13)20(22)23/h4-8H,1-3,9-10H2,(H,18,21)
InChIKeyBDNUPMUAXKYCET-UHFFFAOYSA-N
XLogP4.08
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-pyrrolidin-1-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1243960
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 103479831
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide (CID 952498) is N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is BDNUPMUAXKYCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c17-11-5-4-6-12(15(11)19-9-2-1-3-10-19)18-16(21)13-7-8-14(24-13)20(22)23/h4-8H,1-3,9-10H2,(H,18,21).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 952498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).