1-(2,3-dichlorophenyl)-3-prop-2-ynylurea

C10H8Cl2N2O — CID 97180602

IUPAC1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-2-6-13-10(15)14-8-5-3-4-7(11)9(8)12/h1,3-5H,6H2,(H2,13,14,15)
InChIKeyZYNGOBIIMDOSNV-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.75
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea

1-(2,3-dichlorophenyl)-3-prop-2-ynylurea (PubChem CID 97180602) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
PubChem CID97180602
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-2-6-13-10(15)14-8-5-3-4-7(11)9(8)12/h1,3-5H,6H2,(H2,13,14,15)
InChIKeyZYNGOBIIMDOSNV-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
(E)-4-[(2,3-dichlorophenyl)carbamoylamino]but-2-enoic acid
CID 112746635
4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002599
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea (CID 97180602) is 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea is C#CCNC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea?
The InChIKey is ZYNGOBIIMDOSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-2-6-13-10(15)14-8-5-3-4-7(11)9(8)12/h1,3-5H,6H2,(H2,13,14,15).
What are the key properties of 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea?
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea has a molecular weight of 243.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-prop-2-ynylurea is sourced from PubChem (CID 97180602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).