N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide

C19H14ClN3O5 — CID 9359465

IUPACN-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H14ClN3O5/c1-12-16(8-9-27-12)19(24)22-21-11-13-2-5-15(6-3-13)28-18-7-4-14(20)10-17(18)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-
InChIKeyGRCAWMUDMRAWKE-NHDPSOOVSA-N
MW399.79 g/mol
LogP4.71
Rot. Bonds6

About N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 9359465) has the molecular formula C19H14ClN3O5 and a molecular weight of 399.79 g/mol. Its IUPAC name is N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID9359465
Molecular FormulaC19H14ClN3O5
Molecular Weight399.79 g/mol
Exact Mass399.06
IUPAC NameN-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H14ClN3O5/c1-12-16(8-9-27-12)19(24)22-21-11-13-2-5-15(6-3-13)28-18-7-4-14(20)10-17(18)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-
InChIKeyGRCAWMUDMRAWKE-NHDPSOOVSA-N
XLogP4.71
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-methyl-4-nitrobenzoate
CID 4252784
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396318
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 26820570
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 5403994
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 5240816
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide (CID 9359465) is N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is GRCAWMUDMRAWKE-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H14ClN3O5/c1-12-16(8-9-27-12)19(24)22-21-11-13-2-5-15(6-3-13)28-18-7-4-14(20)10-17(18)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 399.79 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 9359465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).