2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C19H14ClN3O4 — CID 7373569

IUPAC2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(Cl)c1
InChIInChI=1S/C19H14ClN3O4/c1-12-6-8-14(16(20)10-12)19(24)22-21-11-13-7-9-18(27-13)15-4-2-3-5-17(15)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-
InChIKeyOJGIUIMTLDVUCC-NHDPSOOVSA-N
MW383.79 g/mol
LogP4.58
Rot. Bonds5

About 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide

2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 7373569) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID7373569
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(Cl)c1
InChIInChI=1S/C19H14ClN3O4/c1-12-6-8-14(16(20)10-12)19(24)22-21-11-13-7-9-18(27-13)15-4-2-3-5-17(15)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-
InChIKeyOJGIUIMTLDVUCC-NHDPSOOVSA-N
XLogP4.58
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 5341086
2-methyl-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126171058
N-[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060929
2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 41300970
4-acetamido-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3883202
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
CID 5413434
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 7373616
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126091189
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 7373569) is 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is OJGIUIMTLDVUCC-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c1-12-6-8-14(16(20)10-12)19(24)22-21-11-13-7-9-18(27-13)15-4-2-3-5-17(15)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-.
What are the key properties of 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 383.79 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 7373569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).