1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea

C19H21ClN2O — CID 151779518

IUPAC1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C19H21ClN2O/c20-18-13-7-4-8-15(18)14-22(17-11-5-6-12-17)19(23)21-16-9-2-1-3-10-16/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,21,23)
InChIKeyRUHIFZJSLUYFRS-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.32
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea

1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (PubChem CID 151779518) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
PubChem CID151779518
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C19H21ClN2O/c20-18-13-7-4-8-15(18)14-22(17-11-5-6-12-17)19(23)21-16-9-2-1-3-10-16/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,21,23)
InChIKeyRUHIFZJSLUYFRS-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 18883819
1-(1-benzylpiperidin-4-yl)-1-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)urea
CID 42702435
N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
CID 119776374
1-[(2-chlorophenyl)methyl]-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
CID 19935176
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 150356043
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(3-fluorophenyl)urea
CID 3472224
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
1-cyclohexyl-1-hydroxy-3-phenylurea
CID 86182203

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (CID 151779518) is 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccccc1Cl)C1CCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
The InChIKey is RUHIFZJSLUYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-13-7-4-8-15(18)14-22(17-11-5-6-12-17)19(23)21-16-9-2-1-3-10-16/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,21,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea has a molecular weight of 328.84 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea is sourced from PubChem (CID 151779518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).