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

C14H19BrN2O2 — CID 111103751

IUPAC1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1c(Br)cccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H19BrN2O2/c1-10-11(15)5-4-6-12(10)17-13(18)16-9-14(19)7-2-3-8-14/h4-6,19H,2-3,7-9H2,1H3,(H2,16,17,18)
InChIKeyVKXTVDLZBFTMTJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.18
Rot. Bonds3

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

1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103751) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103751
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1c(Br)cccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H19BrN2O2/c1-10-11(15)5-4-6-12(10)17-13(18)16-9-14(19)7-2-3-8-14/h4-6,19H,2-3,7-9H2,1H3,(H2,16,17,18)
InChIKeyVKXTVDLZBFTMTJ-UHFFFAOYSA-N
XLogP3.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72914253
1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107627199
1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103612
1-(3-bromo-2-methylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 86882937
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103751) is 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is Cc1c(Br)cccc1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is VKXTVDLZBFTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-11(15)5-4-6-12(10)17-13(18)16-9-14(19)7-2-3-8-14/h4-6,19H,2-3,7-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 327.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).