1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea

C16H21BrN2O — CID 108912711

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)NCCc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O/c17-15-8-6-13(7-9-15)10-11-18-16(20)19-12-14-4-2-1-3-5-14/h6-9,12H,1-5,10-11H2,(H2,18,19,20)
InChIKeyBYZACVHBTZBDBX-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.14
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea

1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea (PubChem CID 108912711) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
PubChem CID108912711
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)NCCc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O/c17-15-8-6-13(7-9-15)10-11-18-16(20)19-12-14-4-2-1-3-5-14/h6-9,12H,1-5,10-11H2,(H2,18,19,20)
InChIKeyBYZACVHBTZBDBX-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
CID 108909361
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
1-(cyclohexylidenemethyl)-3-propylurea
CID 108912374
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913399
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913115
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
CID 108913619
1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea (CID 108912711) is 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea is O=C(NC=C1CCCCC1)NCCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
The InChIKey is BYZACVHBTZBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-15-8-6-13(7-9-15)10-11-18-16(20)19-12-14-4-2-1-3-5-14/h6-9,12H,1-5,10-11H2,(H2,18,19,20).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea has a molecular weight of 337.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).