1-(2-bromophenyl)-3-cyclododecylurea

C19H29BrN2O — CID 108868750

IUPAC1-(2-bromophenyl)-3-cyclododecylurea
SMILESO=C(Nc1ccccc1Br)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H29BrN2O/c20-17-14-10-11-15-18(17)22-19(23)21-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H2,21,22,23)
InChIKeyCMJAPPBSICOEAE-UHFFFAOYSA-N
MW381.36 g/mol
LogP6.24
Rot. Bonds2

About 1-(2-bromophenyl)-3-cyclododecylurea

1-(2-bromophenyl)-3-cyclododecylurea (PubChem CID 108868750) has the molecular formula C19H29BrN2O and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-cyclododecylurea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-cyclododecylurea
PubChem CID108868750
Molecular FormulaC19H29BrN2O
Molecular Weight381.36 g/mol
Exact Mass380.15
IUPAC Name1-(2-bromophenyl)-3-cyclododecylurea
SMILESO=C(Nc1ccccc1Br)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H29BrN2O/c20-17-14-10-11-15-18(17)22-19(23)21-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H2,21,22,23)
InChIKeyCMJAPPBSICOEAE-UHFFFAOYSA-N
XLogP6.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-amino-2-bromophenyl)-3-cyclohexylurea
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1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
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cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
CID 103755930
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
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CID 113252784

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-cyclododecylurea?
The IUPAC name of 1-(2-bromophenyl)-3-cyclododecylurea (CID 108868750) is 1-(2-bromophenyl)-3-cyclododecylurea.
What is the SMILES notation for 1-(2-bromophenyl)-3-cyclododecylurea?
The canonical SMILES for 1-(2-bromophenyl)-3-cyclododecylurea is O=C(Nc1ccccc1Br)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-(2-bromophenyl)-3-cyclododecylurea?
The InChIKey is CMJAPPBSICOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O/c20-17-14-10-11-15-18(17)22-19(23)21-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H2,21,22,23).
What are the key properties of 1-(2-bromophenyl)-3-cyclododecylurea?
1-(2-bromophenyl)-3-cyclododecylurea has a molecular weight of 381.36 g/mol, XLogP of 6.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-cyclododecylurea is sourced from PubChem (CID 108868750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).