1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

C14H19BrN2O2 — CID 111103612

IUPAC1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1ccc(Br)cc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-5-11(15)8-12(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)
InChIKeyTYEGAVVIXCCLAC-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103612) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103612
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1ccc(Br)cc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-5-11(15)8-12(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)
InChIKeyTYEGAVVIXCCLAC-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-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-[(1-hydroxycyclobutyl)methyl]-3-(2-methyl-5-nitrophenyl)urea
CID 111437454
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435537
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
4-[(5-bromo-2-methylanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499151

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103612) is 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is Cc1ccc(Br)cc1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is TYEGAVVIXCCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-4-5-11(15)8-12(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-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(5-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-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).