1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C15H21BrN2O2 — CID 111103914

IUPAC1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCCC1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-11(12-6-2-3-7-13(12)16)18-14(19)17-10-15(20)8-4-5-9-15/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H2,17,18,19)
InChIKeyCHPNQGMIANLZBH-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.11
Rot. Bonds4

About 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103914) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103914
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCCC1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-11(12-6-2-3-7-13(12)16)18-14(19)17-10-15(20)8-4-5-9-15/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H2,17,18,19)
InChIKeyCHPNQGMIANLZBH-UHFFFAOYSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81379420
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
1-[1-(2-bromophenyl)ethyl]-3-(3-phenylpropyl)urea
CID 74636274
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 60569703
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103914) is 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CC(NC(=O)NCC1(O)CCCC1)c1ccccc1Br.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is CHPNQGMIANLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(12-6-2-3-7-13(12)16)18-14(19)17-10-15(20)8-4-5-9-15/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 341.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).