1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea

C19H16ClN3O2 — CID 2731999

IUPAC1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)21-19(25)23-22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyYYEZSKXQGJPFQK-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea

1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea (PubChem CID 2731999) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
PubChem CID2731999
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)21-19(25)23-22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyYYEZSKXQGJPFQK-UHFFFAOYSA-N
XLogP3.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea (CID 2731999) is 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea is O=C(Cc1cccc2ccccc12)NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The InChIKey is YYEZSKXQGJPFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)21-19(25)23-22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea has a molecular weight of 353.81 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea is sourced from PubChem (CID 2731999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).