4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C20H17N3O3 — CID 966653

IUPAC4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H17N3O3/c1-13(24)22-16-9-6-15(7-10-16)20(26)23-21-12-18-17-5-3-2-4-14(17)8-11-19(18)25/h2-12,25H,1H3,(H,22,24)(H,23,26)
InChIKeyKBTFNIUXUUIQGY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.27
Rot. Bonds4

About 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 966653) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID966653
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H17N3O3/c1-13(24)22-16-9-6-15(7-10-16)20(26)23-21-12-18-17-5-3-2-4-14(17)8-11-19(18)25/h2-12,25H,1H3,(H,22,24)(H,23,26)
InChIKeyKBTFNIUXUUIQGY-UHFFFAOYSA-N
XLogP3.27
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide
CID 146303494
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 966653) is 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is KBTFNIUXUUIQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)22-16-9-6-15(7-10-16)20(26)23-21-12-18-17-5-3-2-4-14(17)8-11-19(18)25/h2-12,25H,1H3,(H,22,24)(H,23,26).
What are the key properties of 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 347.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 966653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).