2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

C26H22ClN3O2 — CID 126370728

IUPAC2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C26H22ClN3O2/c27-22-11-13-23(14-12-22)28-17-26(31)30-29-16-19-5-3-9-24(15-19)32-18-21-8-4-7-20-6-1-2-10-25(20)21/h1-16,28H,17-18H2,(H,30,31)/b29-16-
InChIKeySKHGYZHPDAJXFJ-MWLSYYOVSA-N
MW443.93 g/mol
LogP5.63
Rot. Bonds8

About 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide (PubChem CID 126370728) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
PubChem CID126370728
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C26H22ClN3O2/c27-22-11-13-23(14-12-22)28-17-26(31)30-29-16-19-5-3-9-24(15-19)32-18-21-8-4-7-20-6-1-2-10-25(20)21/h1-16,28H,17-18H2,(H,30,31)/b29-16-
InChIKeySKHGYZHPDAJXFJ-MWLSYYOVSA-N
XLogP5.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126357905
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660101
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloroanilino)acetamide
CID 126367878
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126367131
2-(4-chlorophenyl)-N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126148819
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
2-(4-chlorophenoxy)-N-[(Z)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 94847908
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
2-(4-bromoanilino)-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126361542

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide (CID 126370728) is 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc(OCc2cccc3ccccc23)c1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is SKHGYZHPDAJXFJ-MWLSYYOVSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c27-22-11-13-23(14-12-22)28-17-26(31)30-29-16-19-5-3-9-24(15-19)32-18-21-8-4-7-20-6-1-2-10-25(20)21/h1-16,28H,17-18H2,(H,30,31)/b29-16-.
What are the key properties of 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 443.93 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 126370728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).