[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea

C15H11ClN2O — CID 102421209

IUPAC[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea
SMILESNC(=O)Nc1ccccc1C#Cc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)18-15(17)19/h1-8H,(H3,17,18,19)
InChIKeyNHDTWMYXZCHCGT-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.23
Rot. Bonds1

About [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea

[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea (PubChem CID 102421209) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea.

Molecular Properties

Compound Name[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea
PubChem CID102421209
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea
SMILESNC(=O)Nc1ccccc1C#Cc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)18-15(17)19/h1-8H,(H3,17,18,19)
InChIKeyNHDTWMYXZCHCGT-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
[2-(2-trimethylsilylethynyl)phenyl]urea
CID 11299239
(2-cyanophenyl)urea
CID 13155570
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]urea
CID 102421213
(3-chloro-2-fluorophenyl)urea
CID 28969166
[2-[2-[6-[2-[2-(carbamoylamino)phenyl]ethynyl]-4-(dimethylamino)-2-pyridinyl]ethynyl]phenyl]urea
CID 118565687
2-[2-(carbamoylamino)-6-chlorophenyl]prop-2-enoic acid
CID 68533405
4-(2-chlorophenyl)-N-(diaminomethylidene)-2-(4-phenylphenyl)but-3-ynamide
CID 123944957
N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
CID 2247470
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
2-[2-(2-chlorophenyl)ethynyl]-1,3-thiazole-5-carboxylic acid
CID 67110581

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea?
The IUPAC name of [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea (CID 102421209) is [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea.
What is the SMILES notation for [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea?
The canonical SMILES for [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea is NC(=O)Nc1ccccc1C#Cc1ccccc1Cl.
What is the InChIKey of [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea?
The InChIKey is NHDTWMYXZCHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)18-15(17)19/h1-8H,(H3,17,18,19).
What are the key properties of [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea?
[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea has a molecular weight of 270.72 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-chlorophenyl)ethynyl]phenyl]urea is sourced from PubChem (CID 102421209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).