1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

C14H19ClN2O2 — CID 111103409

IUPAC1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1cc(Cl)ccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H19ClN2O2/c1-10-8-11(15)4-5-12(10)17-13(18)16-9-14(19)6-2-3-7-14/h4-5,8,19H,2-3,6-7,9H2,1H3,(H2,16,17,18)
InChIKeyULXSXXQSRLQDTN-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103409) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103409
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1cc(Cl)ccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H19ClN2O2/c1-10-8-11(15)4-5-12(10)17-13(18)16-9-14(19)6-2-3-7-14/h4-5,8,19H,2-3,6-7,9H2,1H3,(H2,16,17,18)
InChIKeyULXSXXQSRLQDTN-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103612
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide
CID 111435524
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
CID 114189607
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103409) is 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is Cc1cc(Cl)ccc1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is ULXSXXQSRLQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-8-11(15)4-5-12(10)17-13(18)16-9-14(19)6-2-3-7-14/h4-5,8,19H,2-3,6-7,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 282.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).