[(10-chloroanthracen-9-yl)methylideneamino]urea

C16H12ClN3O — CID 3282620

IUPAC[(10-chloroanthracen-9-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21)11-6-2-4-8-13(11)15/h1-9H,(H3,18,20,21)
InChIKeyKYHDKKXZFITZDY-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.65
Rot. Bonds2

About [(10-chloroanthracen-9-yl)methylideneamino]urea

[(10-chloroanthracen-9-yl)methylideneamino]urea (PubChem CID 3282620) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is [(10-chloroanthracen-9-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(10-chloroanthracen-9-yl)methylideneamino]urea
PubChem CID3282620
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name[(10-chloroanthracen-9-yl)methylideneamino]urea
SMILESNC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21)11-6-2-4-8-13(11)15/h1-9H,(H3,18,20,21)
InChIKeyKYHDKKXZFITZDY-UHFFFAOYSA-N
XLogP3.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
CID 7937324
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(E)-benzylideneamino]urea
CID 6861419
N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 4263096
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 42995647
3-(10-chloroanthracen-9-yl)prop-2-enamide
CID 169482808
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea
CID 154707892
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
[(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]urea
CID 91944584

Frequently Asked Questions

What is the IUPAC name of [(10-chloroanthracen-9-yl)methylideneamino]urea?
The IUPAC name of [(10-chloroanthracen-9-yl)methylideneamino]urea (CID 3282620) is [(10-chloroanthracen-9-yl)methylideneamino]urea.
What is the SMILES notation for [(10-chloroanthracen-9-yl)methylideneamino]urea?
The canonical SMILES for [(10-chloroanthracen-9-yl)methylideneamino]urea is NC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of [(10-chloroanthracen-9-yl)methylideneamino]urea?
The InChIKey is KYHDKKXZFITZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21)11-6-2-4-8-13(11)15/h1-9H,(H3,18,20,21).
What are the key properties of [(10-chloroanthracen-9-yl)methylideneamino]urea?
[(10-chloroanthracen-9-yl)methylideneamino]urea has a molecular weight of 297.75 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(10-chloroanthracen-9-yl)methylideneamino]urea is sourced from PubChem (CID 3282620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).