N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C19H15N5O6 — CID 3975909

IUPACN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C19H15N5O6/c25-18(11-20-16-7-3-5-12-4-1-2-6-15(12)16)22-21-10-13-8-14(23(27)28)9-17(19(13)26)24(29)30/h1-10,20,26H,11H2,(H,22,25)
InChIKeyZQRDPCAPGAXCGT-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.92
Rot. Bonds7

About N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 3975909) has the molecular formula C19H15N5O6 and a molecular weight of 409.36 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID3975909
Molecular FormulaC19H15N5O6
Molecular Weight409.36 g/mol
Exact Mass409.10
IUPAC NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C19H15N5O6/c25-18(11-20-16-7-3-5-12-4-1-2-6-15(12)16)22-21-10-13-8-14(23(27)28)9-17(19(13)26)24(29)30/h1-10,20,26H,11H2,(H,22,25)
InChIKeyZQRDPCAPGAXCGT-UHFFFAOYSA-N
XLogP2.92
TPSA160.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-3,5-dinitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 136919359
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135641791
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135420036
N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 136909108
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6897427
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
N-[2-[(2E)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 135514407
N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 3248879
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135831238
1-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenylurea
CID 135403951
(2R)-N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 136720633

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 3975909) is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is O=C(CNc1cccc2ccccc12)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is ZQRDPCAPGAXCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O6/c25-18(11-20-16-7-3-5-12-4-1-2-6-15(12)16)22-21-10-13-8-14(23(27)28)9-17(19(13)26)24(29)30/h1-10,20,26H,11H2,(H,22,25).
What are the key properties of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 409.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 3975909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).