N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide

C16H15N3O3 — CID 3663531

IUPACN-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O3/c1-12-6-8-13(9-7-12)11-17-18-16(20)10-14-4-2-3-5-15(14)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyVSDLIHJTDGXZHW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide

N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide (PubChem CID 3663531) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
PubChem CID3663531
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O3/c1-12-6-8-13(9-7-12)11-17-18-16(20)10-14-4-2-3-5-15(14)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyVSDLIHJTDGXZHW-UHFFFAOYSA-N
XLogP2.60
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4019273
N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124553440
N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4519460
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124551020
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3433096
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3929054
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741
N-[(E)-[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126377996
N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
CID 3262459
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3413391
N-[(4-butan-2-yloxy-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3252577

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide (CID 3663531) is N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide is Cc1ccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
The InChIKey is VSDLIHJTDGXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-12-6-8-13(9-7-12)11-17-18-16(20)10-14-4-2-3-5-15(14)19(21)22/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide has a molecular weight of 297.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3663531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).