N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide

C16H15N3O4 — CID 3383758

IUPACN-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCc1cc([N+](=O)[O-])cc(C=NNC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C16H15N3O4/c1-11-7-14(19(22)23)9-13(16(11)21)10-17-18-15(20)8-12-5-3-2-4-6-12/h2-7,9-10,21H,8H2,1H3,(H,18,20)
InChIKeyWKCJIBYGGGMQAG-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.30
Rot. Bonds5

About N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide

N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 3383758) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID3383758
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCc1cc([N+](=O)[O-])cc(C=NNC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C16H15N3O4/c1-11-7-14(19(22)23)9-13(16(11)21)10-17-18-15(20)8-12-5-3-2-4-6-12/h2-7,9-10,21H,8H2,1H3,(H,18,20)
InChIKeyWKCJIBYGGGMQAG-UHFFFAOYSA-N
XLogP2.30
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 135643368
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033660
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(Z)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 94845582
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 3383758) is N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide is Cc1cc([N+](=O)[O-])cc(C=NNC(=O)Cc2ccccc2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is WKCJIBYGGGMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11-7-14(19(22)23)9-13(16(11)21)10-17-18-15(20)8-12-5-3-2-4-6-12/h2-7,9-10,21H,8H2,1H3,(H,18,20).
What are the key properties of N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 313.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3383758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).