N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide

C16H15ClN4O5 — CID 9351695

IUPACN'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C16H15ClN4O5/c1-9(2)19-15(22)16(23)20-18-8-11-4-6-14(26-11)12-5-3-10(17)7-13(12)21(24)25/h3-9H,1-2H3,(H,19,22)(H,20,23)/b18-8-
InChIKeyILMUPVUZGKNRJT-LSCVHKIXSA-N
MW378.77 g/mol
LogP2.48
Rot. Bonds5

About N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 9351695) has the molecular formula C16H15ClN4O5 and a molecular weight of 378.77 g/mol. Its IUPAC name is N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
PubChem CID9351695
Molecular FormulaC16H15ClN4O5
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC NameN'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C16H15ClN4O5/c1-9(2)19-15(22)16(23)20-18-8-11-4-6-14(26-11)12-5-3-10(17)7-13(12)21(24)25/h3-9H,1-2H3,(H,19,22)(H,20,23)/b18-8-
InChIKeyILMUPVUZGKNRJT-LSCVHKIXSA-N
XLogP2.48
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyano-N-propan-2-ylprop-2-enamide
CID 7333579
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126369010
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351713
3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3917613
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
4-chloro-N-[1-[2-[[5-(2,5-dichloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3540108
5,7-dibromo-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376057
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126045435
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 18530001
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675713
2-chloro-N-[1-[2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3506541

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide (CID 9351695) is N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is ILMUPVUZGKNRJT-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H15ClN4O5/c1-9(2)19-15(22)16(23)20-18-8-11-4-6-14(26-11)12-5-3-10(17)7-13(12)21(24)25/h3-9H,1-2H3,(H,19,22)(H,20,23)/b18-8-.
What are the key properties of N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 378.77 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).