1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea

C10H10Cl2N2O — CID 108909411

IUPAC1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h2-6H,1H3,(H2,13,14,15)/b5-2+
InChIKeyWBWUDPQAYYVOHF-GORDUTHDSA-N
MW245.11 g/mol
LogP3.65
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea

1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909411) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909411
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2N2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h2-6H,1H3,(H2,13,14,15)/b5-2+
InChIKeyWBWUDPQAYYVOHF-GORDUTHDSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914944
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
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CID 43145990
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 103916783
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea (CID 108909411) is 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is WBWUDPQAYYVOHF-GORDUTHDSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h2-6H,1H3,(H2,13,14,15)/b5-2+.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea?
1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 245.11 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).