1-(4-bromophenyl)-3-cycloheptylurea

C14H19BrN2O — CID 47132836

IUPAC1-(4-bromophenyl)-3-cycloheptylurea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-7-9-13(10-8-11)17-14(18)16-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H2,16,17,18)
InChIKeyCZSKGBGQGGNFQO-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.29
Rot. Bonds2

About 1-(4-bromophenyl)-3-cycloheptylurea

1-(4-bromophenyl)-3-cycloheptylurea (PubChem CID 47132836) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-cycloheptylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-cycloheptylurea
PubChem CID47132836
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(4-bromophenyl)-3-cycloheptylurea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-7-9-13(10-8-11)17-14(18)16-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H2,16,17,18)
InChIKeyCZSKGBGQGGNFQO-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 112980754
1-(4-chlorophenyl)-3-cyclododecylurea
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1-cyclohexyl-3-(4-cyclopentylphenyl)urea
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1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
CID 108875238
1-cyclohexyl-3-(4-isocyanatophenyl)urea
CID 169354330
1-(4-bromophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47191942
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
4-bromo-N-cycloheptylbenzamide
CID 2843132

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-cycloheptylurea?
The IUPAC name of 1-(4-bromophenyl)-3-cycloheptylurea (CID 47132836) is 1-(4-bromophenyl)-3-cycloheptylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-cycloheptylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-cycloheptylurea is O=C(Nc1ccc(Br)cc1)NC1CCCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-cycloheptylurea?
The InChIKey is CZSKGBGQGGNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-7-9-13(10-8-11)17-14(18)16-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H2,16,17,18).
What are the key properties of 1-(4-bromophenyl)-3-cycloheptylurea?
1-(4-bromophenyl)-3-cycloheptylurea has a molecular weight of 311.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-cycloheptylurea is sourced from PubChem (CID 47132836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).