N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide

C16H14ClN3O4 — CID 126103968

IUPACN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14ClN3O4/c1-24-13-4-2-3-11(7-13)9-16(21)19-18-10-12-5-6-14(17)15(8-12)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/b18-10+
InChIKeyMYOMUFQULHAUHA-VCHYOVAHSA-N
MW347.76 g/mol
LogP2.95
Rot. Bonds6

About N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide (PubChem CID 126103968) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
PubChem CID126103968
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14ClN3O4/c1-24-13-4-2-3-11(7-13)9-16(21)19-18-10-12-5-6-14(17)15(8-12)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/b18-10+
InChIKeyMYOMUFQULHAUHA-VCHYOVAHSA-N
XLogP2.95
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 ≤ 52.95
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'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3277109
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 126105215
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143782
2-(3-chlorophenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 19165680
N-benzyl-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3282009
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide
CID 135685452
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135719851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide (CID 126103968) is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
The InChIKey is MYOMUFQULHAUHA-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-24-13-4-2-3-11(7-13)9-16(21)19-18-10-12-5-6-14(17)15(8-12)20(22)23/h2-8,10H,9H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide has a molecular weight of 347.76 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 126103968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).