N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide

C16H16N4O4 — CID 135479340

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C16H16N4O4/c1-11-2-4-13(5-3-11)17-10-16(22)19-18-9-12-8-14(20(23)24)6-7-15(12)21/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9+
InChIKeyOGVVDRPGTPNFSO-GIJQJNRQSA-N
MW328.33 g/mol
LogP2.17
Rot. Bonds6

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 135479340) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID135479340
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C16H16N4O4/c1-11-2-4-13(5-3-11)17-10-16(22)19-18-9-12-8-14(20(23)24)6-7-15(12)21/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9+
InChIKeyOGVVDRPGTPNFSO-GIJQJNRQSA-N
XLogP2.17
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4630446
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 4579074
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 137168688
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135830802
2-[(E)-[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7290533
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 4029850
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7073727
N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 758785
2-(4-bromoanilino)-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137149865
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135579099
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 135479340) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is OGVVDRPGTPNFSO-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-11-2-4-13(5-3-11)17-10-16(22)19-18-9-12-8-14(20(23)24)6-7-15(12)21/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 135479340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).