N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide

C16H14ClN3O4 — CID 110506655

IUPACN-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-2-24-15-8-3-11(9-14(15)17)10-18-19-16(21)12-4-6-13(7-5-12)20(22)23/h3-10H,2H2,1H3,(H,19,21)/b18-10+
InChIKeyUALBDFZSASUYDU-VCHYOVAHSA-N
MW347.76 g/mol
LogP3.41
Rot. Bonds6

About N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide

N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 110506655) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID110506655
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-2-24-15-8-3-11(9-14(15)17)10-18-19-16(21)12-4-6-13(7-5-12)20(22)23/h3-10H,2H2,1H3,(H,19,21)/b18-10+
InChIKeyUALBDFZSASUYDU-VCHYOVAHSA-N
XLogP3.41
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 53.41
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

N-[(E)-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126328691
N-[(E)-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126321368
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641
N-[(E)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 126267673
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506601
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(E)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506652
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(E)-[3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329588
N-[(E)-[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126330929

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide (CID 110506655) is N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide is CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is UALBDFZSASUYDU-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-2-24-15-8-3-11(9-14(15)17)10-18-19-16(21)12-4-6-13(7-5-12)20(22)23/h3-10H,2H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 347.76 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 110506655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).