1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea

C12H15Cl2N3O — CID 107654072

IUPAC1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
SMILESNC1CCCC1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c13-7-4-8(14)6-9(5-7)16-12(18)17-11-3-1-2-10(11)15/h4-6,10-11H,1-3,15H2,(H2,16,17,18)
InChIKeyRTBQAGORSNPABV-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea

1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107654072) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107654072
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
SMILESNC1CCCC1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c13-7-4-8(14)6-9(5-7)16-12(18)17-11-3-1-2-10(11)15/h4-6,10-11H,1-3,15H2,(H2,16,17,18)
InChIKeyRTBQAGORSNPABV-UHFFFAOYSA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
CID 93452783
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63251608
1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
CID 118767524
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
CID 23587527
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea (CID 107654072) is 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea is NC1CCCC1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is RTBQAGORSNPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-7-4-8(14)6-9(5-7)16-12(18)17-11-3-1-2-10(11)15/h4-6,10-11H,1-3,15H2,(H2,16,17,18).
What are the key properties of 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea?
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 288.18 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107654072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).