1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea

C14H19BrN2O2 — CID 110902757

IUPAC1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H19BrN2O2/c15-12-4-2-11(3-5-12)14(6-1-7-14)10-17-13(19)16-8-9-18/h2-5,18H,1,6-10H2,(H2,16,17,19)
InChIKeyYPKMITNWGSEABH-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.16
Rot. Bonds5

About 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea

1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea (PubChem CID 110902757) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
PubChem CID110902757
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H19BrN2O2/c15-12-4-2-11(3-5-12)14(6-1-7-14)10-17-13(19)16-8-9-18/h2-5,18H,1,6-10H2,(H2,16,17,19)
InChIKeyYPKMITNWGSEABH-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(3-hydroxypropyl)urea
CID 110902756
3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 122003095
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083
2-(aminomethyl)-N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide
CID 119744788
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea (CID 110902757) is 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is YPKMITNWGSEABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-4-2-11(3-5-12)14(6-1-7-14)10-17-13(19)16-8-9-18/h2-5,18H,1,6-10H2,(H2,16,17,19).
What are the key properties of 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea?
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 327.22 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110902757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).