1-(3-chloro-3-methylcyclopentyl)-3-phenylurea

C13H17ClN2O — CID 142021836

IUPAC1-(3-chloro-3-methylcyclopentyl)-3-phenylurea
SMILESCC1(Cl)CCC(NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C13H17ClN2O/c1-13(14)8-7-11(9-13)16-12(17)15-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,15,16,17)
InChIKeyNOHGHTCISYWOEW-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.36
Rot. Bonds2

About 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea

1-(3-chloro-3-methylcyclopentyl)-3-phenylurea (PubChem CID 142021836) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-chloro-3-methylcyclopentyl)-3-phenylurea
PubChem CID142021836
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(3-chloro-3-methylcyclopentyl)-3-phenylurea
SMILESCC1(Cl)CCC(NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C13H17ClN2O/c1-13(14)8-7-11(9-13)16-12(17)15-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,15,16,17)
InChIKeyNOHGHTCISYWOEW-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(3,3-dimethylcyclopentyl)urea
CID 114547631
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-phenyl-3-(thiolan-3-yl)urea
CID 2805565
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
5-[(3,3-dimethylcyclopentyl)carbamoylamino]-2-methylbenzoic acid
CID 114548981
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557949
2-bromo-5-[(3,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
CID 114549010

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea?
The IUPAC name of 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea (CID 142021836) is 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea.
What is the SMILES notation for 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea?
The canonical SMILES for 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea is CC1(Cl)CCC(NC(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea?
The InChIKey is NOHGHTCISYWOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(14)8-7-11(9-13)16-12(17)15-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea?
1-(3-chloro-3-methylcyclopentyl)-3-phenylurea has a molecular weight of 252.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-3-methylcyclopentyl)-3-phenylurea is sourced from PubChem (CID 142021836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).