1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea

C14H19BrN2O — CID 47031785

IUPAC1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c1-10-5-4-6-11(9-10)16-14(18)17-13-8-3-2-7-12(13)15/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,16,17,18)
InChIKeyLBUFULDSXKVZDQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.15
Rot. Bonds2

About 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea

1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea (PubChem CID 47031785) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
PubChem CID47031785
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c1-10-5-4-6-11(9-10)16-14(18)17-13-8-3-2-7-12(13)15/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,16,17,18)
InChIKeyLBUFULDSXKVZDQ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea (CID 47031785) is 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea is CC1CCCC(NC(=O)Nc2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea?
The InChIKey is LBUFULDSXKVZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-4-6-11(9-10)16-14(18)17-13-8-3-2-7-12(13)15/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea?
1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea has a molecular weight of 311.22 g/mol, XLogP of 4.15, 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-(3-methylcyclohexyl)urea is sourced from PubChem (CID 47031785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).