[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea

C19H16ClN3O2 — CID 94844311

IUPAC[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C19H16ClN3O2/c20-17-8-4-2-6-14(17)12-25-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)24/h1-11H,12H2,(H3,21,23,24)/b22-11-
InChIKeyKREHCWFUYQDTMA-JJFYIABZSA-N
MW353.81 g/mol
LogP4.07
Rot. Bonds5

About [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea

[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea (PubChem CID 94844311) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
PubChem CID94844311
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C19H16ClN3O2/c20-17-8-4-2-6-14(17)12-25-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)24/h1-11H,12H2,(H3,21,23,24)/b22-11-
InChIKeyKREHCWFUYQDTMA-JJFYIABZSA-N
XLogP4.07
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205540
1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-ethylthiourea
CID 3548959
[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5426311
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028085
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148458
[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 168533319
[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 1370223
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 17384637

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea?
The IUPAC name of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea (CID 94844311) is [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea?
The canonical SMILES for [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea is NC(=O)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea?
The InChIKey is KREHCWFUYQDTMA-JJFYIABZSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-8-4-2-6-14(17)12-25-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)24/h1-11H,12H2,(H3,21,23,24)/b22-11-.
What are the key properties of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea?
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea has a molecular weight of 353.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea is sourced from PubChem (CID 94844311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).