1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea

C13H13Cl2N3O — CID 107653426

IUPAC1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
SMILESN#CC1(NC(=O)Nc2cc(Cl)cc(Cl)c2)CCCC1
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-10(15)7-11(6-9)17-12(19)18-13(8-16)3-1-2-4-13/h5-7H,1-4H2,(H2,17,18,19)
InChIKeyQRAWPEWYSXWFOI-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.95
Rot. Bonds2

About 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea

1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107653426) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107653426
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
SMILESN#CC1(NC(=O)Nc2cc(Cl)cc(Cl)c2)CCCC1
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-10(15)7-11(6-9)17-12(19)18-13(8-16)3-1-2-4-13/h5-7H,1-4H2,(H2,17,18,19)
InChIKeyQRAWPEWYSXWFOI-UHFFFAOYSA-N
XLogP3.95
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80598456
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
1-cyano-3-(3,5-dichlorophenyl)urea
CID 107654843
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
1-(3,5-dichlorophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 136515060
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea (CID 107653426) is 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea is N#CC1(NC(=O)Nc2cc(Cl)cc(Cl)c2)CCCC1.
What is the InChIKey of 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is QRAWPEWYSXWFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-5-10(15)7-11(6-9)17-12(19)18-13(8-16)3-1-2-4-13/h5-7H,1-4H2,(H2,17,18,19).
What are the key properties of 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea?
1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 298.17 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107653426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).