1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

C13H16ClFN2O2 — CID 111925826

IUPAC1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC1(CO)CCCC1
InChIInChI=1S/C13H16ClFN2O2/c14-10-7-9(3-4-11(10)15)16-12(19)17-13(8-18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8H2,(H2,16,17,19)
InChIKeyNBCKBZMCTBRGSK-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 111925826) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID111925826
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC1(CO)CCCC1
InChIInChI=1S/C13H16ClFN2O2/c14-10-7-9(3-4-11(10)15)16-12(19)17-13(8-18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8H2,(H2,16,17,19)
InChIKeyNBCKBZMCTBRGSK-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926057
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 111925826) is 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is O=C(Nc1ccc(F)c(Cl)c1)NC1(CO)CCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is NBCKBZMCTBRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-10-7-9(3-4-11(10)15)16-12(19)17-13(8-18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8H2,(H2,16,17,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 286.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 111925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).