3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea

C16H23ClN2O2 — CID 72928250

IUPAC3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
SMILESCc1ccc(Cl)c(NC(=O)N(C)CC2(CO)CCCC2)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-5-6-13(17)14(9-12)18-15(21)19(2)10-16(11-20)7-3-4-8-16/h5-6,9,20H,3-4,7-8,10-11H2,1-2H3,(H,18,21)
InChIKeyICPCFXJBWXRPBN-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.66
Rot. Bonds4

About 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea

3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea (PubChem CID 72928250) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
PubChem CID72928250
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
SMILESCc1ccc(Cl)c(NC(=O)N(C)CC2(CO)CCCC2)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-5-6-13(17)14(9-12)18-15(21)19(2)10-16(11-20)7-3-4-8-16/h5-6,9,20H,3-4,7-8,10-11H2,1-2H3,(H,18,21)
InChIKeyICPCFXJBWXRPBN-UHFFFAOYSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72915964
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-3-(2-methoxy-5-phenylphenyl)-1-methylurea
CID 72940316
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91768563
methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
CID 43624007
3-[tert-butyl-[(2-chloro-5-methylphenyl)carbamoyl]amino]propanoic acid
CID 107627589
(2R)-2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97156551
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
3-(2-chloro-5-methylphenyl)-1-methyl-1-(thian-4-yl)urea
CID 118776991
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
The IUPAC name of 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea (CID 72928250) is 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea.
What is the SMILES notation for 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
The canonical SMILES for 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea is Cc1ccc(Cl)c(NC(=O)N(C)CC2(CO)CCCC2)c1.
What is the InChIKey of 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
The InChIKey is ICPCFXJBWXRPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-5-6-13(17)14(9-12)18-15(21)19(2)10-16(11-20)7-3-4-8-16/h5-6,9,20H,3-4,7-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea has a molecular weight of 310.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea is sourced from PubChem (CID 72928250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).